bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine

C60H82N6O7 — CID 159490171

IUPACbis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine
SMILESC.CC.CC.CC.CO.COC.COC.NCc1ccccc1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1.O=C(O)c1cc2ccccc2[nH]1
InChIInChI=1S/2C16H14N2O.C9H7NO2.C7H9N.2C2H6O.3C2H6.CH4O.CH4/c2*19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15;11-9(12)8-5-6-3-1-2-4-7(6)10-8;8-6-7-4-2-1-3-5-7;2*1-3-2;4*1-2;/h2*1-10,18H,11H2,(H,17,19);1-5,10H,(H,11,12);1-5H,6,8H2;2*1-2H3;3*1-2H3;2H,1H3;1H4
InChIKeyLYBYOTCLFIXAEO-UHFFFAOYSA-N
MW999.35 g/mol
LogP13.06
Rot. Bonds8

About bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine

bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine (PubChem CID 159490171) has the molecular formula C60H82N6O7 and a molecular weight of 999.35 g/mol. Its IUPAC name is bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine.

Molecular Properties

Compound Namebis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine
PubChem CID159490171
Molecular FormulaC60H82N6O7
Molecular Weight999.35 g/mol
Exact Mass998.62
IUPAC Namebis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine
SMILESC.CC.CC.CC.CO.COC.COC.NCc1ccccc1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1.O=C(O)c1cc2ccccc2[nH]1
InChIInChI=1S/2C16H14N2O.C9H7NO2.C7H9N.2C2H6O.3C2H6.CH4O.CH4/c2*19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15;11-9(12)8-5-6-3-1-2-4-7(6)10-8;8-6-7-4-2-1-3-5-7;2*1-3-2;4*1-2;/h2*1-10,18H,11H2,(H,17,19);1-5,10H,(H,11,12);1-5H,6,8H2;2*1-2H3;3*1-2H3;2H,1H3;1H4
InChIKeyLYBYOTCLFIXAEO-UHFFFAOYSA-N
XLogP13.06
TPSA207.58 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.35
LogP ≤ 513.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

Analyze bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-2-(1H-indole-2-carbonylamino)-3-methylbutanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 44340283
3,3'-(phenylmethylene)bis(1H-indole-2-carboxylic acid)
CID 2966039
N-[(2S)-1-[[(2S,4S)-3-hydroxy-4-[[(2R)-2-(1H-indole-2-carbonylamino)-3-methylbutanoyl]amino]-1,5-diphenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 44340189
{(S)-4-[(S)-1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-4-[(1H-indole-2-carbonyl)-amino]-butyl}-carbamic acid benzyl ester
CID 44400223
(S)-2-{(S)-5-Benzyloxycarbonylamino-2-[(1H-indole-2-carbonyl)-amino]-pentanoylamino}-3-phenyl-propionic acid
CID 44400355
5-[3-[2-carboxy-2-[[7-[[1-carboxy-2-[2-(3,5-dicarboxyphenyl)-1H-indol-3-yl]ethyl]amino]-4-[3-[[1-carboxy-2-[2-(3,5-dicarboxyphenyl)-1H-indol-3-yl]ethyl]amino]-3-oxopropyl]-4-nitro-7-oxoheptanoyl]amino]ethyl]-1H-indol-2-yl]benzene-1,3-dicarboxylic acid
CID 155521753
4-[3-[2-carboxy-2-[3-[3-[3-[[1-carboxy-2-[2-(4-carboxyphenyl)-1H-indol-3-yl]ethyl]amino]-3-oxo-propoxy]-2,2-bis[[3-[[1-carboxy-2-[2-(4-carboxyphenyl)-1H-indol-3-yl]ethyl]amino]-3-oxo-propoxy]methyl]propoxy]propanoylamino]ethyl]-1H-indol-2-yl]benzoic acid
CID 155523042
3-[3-[2-carboxy-2-[3-[3-[3-[[1-carboxy-2-[2-(3-carboxyphenyl)-1H-indol-3-yl]ethyl]amino]-3-oxo-propoxy]-2,2-bis[[3-[[1-carboxy-2-[2-(3-carboxyphenyl)-1H-indol-3-yl]ethyl]amino]-3-oxo-propoxy]methyl]propoxy]propanoylamino]ethyl]-1H-indol-2-yl]benzoic acid
CID 155542128
5-[3-[2-carboxy-2-[3-[3-[3-[[1-carboxy-2-[2-(3,5-dicarboxyphenyl)-1H-indol-3-yl]ethyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1-carboxy-2-[2-(3,5-dicarboxyphenyl)-1H-indol-3-yl]ethyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]ethyl]-1H-indol-2-yl]benzene-1,3-dicarboxylic acid
CID 155549342
3-[3-[2-carboxy-2-[[7-[[1-carboxy-2-[2-(3-carboxyphenyl)-1H-indol-3-yl]ethyl]amino]-4-[3-[[1-carboxy-2-[2-(3-carboxyphenyl)-1H-indol-3-yl]ethyl]amino]-3-oxopropyl]-4-nitro-7-oxoheptanoyl]amino]ethyl]-1H-indol-2-yl]benzoic acid
CID 155555684
5-[3-[2-[3-[3-[3-[[2-[2,7-bis(3,5-dicarboxyphenyl)-1H-indol-3-yl]-1-carboxy-ethyl]amino]-3-oxo-propoxy]-2,2-bis[[3-[[2-[2,7-bis(3,5-dicarboxyphenyl)-1H-indol-3-yl]-1-carboxy-ethyl]amino]-3-oxo-propoxy]methyl]propoxy]propanoylamino]-2-carboxy-ethyl]-2-(3,5-dicarboxyphenyl)-1H-indol-7-yl]benzene-1,3-dicarboxylic acid
CID 166606438
4-[3-[2-[3-[3-[3-[[2-[2,7-bis(4-carboxyphenyl)-1H-indol-3-yl]-1-carboxy-ethyl]amino]-3-oxo-propoxy]-2,2-bis[[3-[[2-[2,7-bis(4-carboxyphenyl)-1H-indol-3-yl]-1-carboxy-ethyl]amino]-3-oxo-propoxy]methyl]propoxy]propanoylamino]-2-carboxy-ethyl]-2-(4-carboxyphenyl)-1H-indol-7-yl]benzoic acid
CID 166606604

Frequently Asked Questions

What is the IUPAC name of bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine?
The IUPAC name of bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine (CID 159490171) is bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine.
What is the SMILES notation for bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine?
The canonical SMILES for bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine is C.CC.CC.CC.CO.COC.COC.NCc1ccccc1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1.O=C(O)c1cc2ccccc2[nH]1.
What is the InChIKey of bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine?
The InChIKey is LYBYOTCLFIXAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14N2O.C9H7NO2.C7H9N.2C2H6O.3C2H6.CH4O.CH4/c2*19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15;11-9(12)8-5-6-3-1-2-4-7(6)10-8;8-6-7-4-2-1-3-5-7;2*1-3-2;4*1-2;/h2*1-10,18H,11H2,(H,17,19);1-5,10H,(H,11,12);1-5H,6,8H2;2*1-2H3;3*1-2H3;2H,1H3;1H4.
What are the key properties of bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine?
bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine has a molecular weight of 999.35 g/mol, XLogP of 13.06, 8 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-benzyl-1H-indole-2-carboxamide);ethane;1H-indole-2-carboxylic acid;methane;methanol;methoxymethane;phenylmethanamine is sourced from PubChem (CID 159490171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).