N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide

C34H37N3O3 — CID 58923431

IUPACN-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C34H37N3O3/c38-31(36-18-20-40-21-19-36)24-37-30-22-28(34(39)35-23-25-10-4-1-5-11-25)16-17-29(30)32(26-12-6-2-7-13-26)33(37)27-14-8-3-9-15-27/h1,3-5,8-11,14-17,22,26H,2,6-7,12-13,18-21,23-24H2,(H,35,39)
InChIKeySJVOIDLLGXQOKS-UHFFFAOYSA-N
MW535.69 g/mol
LogP6.14
Rot. Bonds7

About N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide

N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide (PubChem CID 58923431) has the molecular formula C34H37N3O3 and a molecular weight of 535.69 g/mol. Its IUPAC name is N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
PubChem CID58923431
Molecular FormulaC34H37N3O3
Molecular Weight535.69 g/mol
Exact Mass535.28
IUPAC NameN-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C34H37N3O3/c38-31(36-18-20-40-21-19-36)24-37-30-22-28(34(39)35-23-25-10-4-1-5-11-25)16-17-29(30)32(26-12-6-2-7-13-26)33(37)27-14-8-3-9-15-27/h1,3-5,8-11,14-17,22,26H,2,6-7,12-13,18-21,23-24H2,(H,35,39)
InChIKeySJVOIDLLGXQOKS-UHFFFAOYSA-N
XLogP6.14
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
CID 11455732
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid
CID 10026886
3-cyclohexyl-2-(furan-3-yl)-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
CID 10075164
3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid
CID 11156284
N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
CID 71816842
3-cyclohexyl-2-(furan-3-yl)-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carbonyl chloride;3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 158147564
3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-[1-(phenylcarbamoyl)cyclopentyl]indole-6-carboxamide
CID 173082910
2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 58923420
3-cyclohexyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylindole-6-carboxylic acid
CID 58923486
2-[2-(3-aminophenyl)quinolin-6-yl]-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 58710351
3-cyclohexyl-1-[2-(ethenylamino)-2-oxoethyl]-2-phenylindole-6-carboxylic acid
CID 11211801
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate
CID 158184456

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide?
The IUPAC name of N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide (CID 58923431) is N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide.
What is the SMILES notation for N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide?
The canonical SMILES for N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide is O=C(NCc1ccccc1)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N3CCOCC3)c2c1.
What is the InChIKey of N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide?
The InChIKey is SJVOIDLLGXQOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O3/c38-31(36-18-20-40-21-19-36)24-37-30-22-28(34(39)35-23-25-10-4-1-5-11-25)16-17-29(30)32(26-12-6-2-7-13-26)33(37)27-14-8-3-9-15-27/h1,3-5,8-11,14-17,22,26H,2,6-7,12-13,18-21,23-24H2,(H,35,39).
What are the key properties of N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide?
N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide has a molecular weight of 535.69 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide is sourced from PubChem (CID 58923431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).