N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide

C32H43N3O5 — CID 67563555

IUPACN-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide
SMILESCCCCCC(NC(=O)Cc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc12)C(=O)N(C)CCCC
InChIInChI=1S/C32H43N3O5/c1-7-9-11-12-28(32(38)34(4)19-10-8-2)33-30(36)21-26-22(3)35(29-18-17-25(40-6)20-27(26)29)31(37)23-13-15-24(39-5)16-14-23/h13-18,20,28H,7-12,19,21H2,1-6H3,(H,33,36)
InChIKeyAPOHKSPSUXJOAH-UHFFFAOYSA-N
MW549.71 g/mol
LogP5.52
Rot. Bonds14

About N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide

N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide (PubChem CID 67563555) has the molecular formula C32H43N3O5 and a molecular weight of 549.71 g/mol. Its IUPAC name is N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide
PubChem CID67563555
Molecular FormulaC32H43N3O5
Molecular Weight549.71 g/mol
Exact Mass549.32
IUPAC NameN-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide
SMILESCCCCCC(NC(=O)Cc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc12)C(=O)N(C)CCCC
InChIInChI=1S/C32H43N3O5/c1-7-9-11-12-28(32(38)34(4)19-10-8-2)33-30(36)21-26-22(3)35(29-18-17-25(40-6)20-27(26)29)31(37)23-13-15-24(39-5)16-14-23/h13-18,20,28H,7-12,19,21H2,1-6H3,(H,33,36)
InChIKeyAPOHKSPSUXJOAH-UHFFFAOYSA-N
XLogP5.52
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.71
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-[2-[[1-[butyl(methyl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-1-(4-chlorobenzoyl)-2-methylindol-5-yl] acetate
CID 67561963
[1-(4-chlorobenzoyl)-3-[2-[[1-(diethylamino)-1-oxooctan-2-yl]amino]-2-oxoethyl]-2-methylindol-5-yl] acetate
CID 67561568
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329
2-[[2-(1-benzyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dimethyloctanamide
CID 67563171
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 6916018
8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide
CID 67563567
N-butan-2-yl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide
CID 69487707
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 24825528
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 7935529
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide?
The IUPAC name of N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide (CID 67563555) is N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide.
What is the SMILES notation for N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide?
The canonical SMILES for N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide is CCCCCC(NC(=O)Cc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc12)C(=O)N(C)CCCC.
What is the InChIKey of N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide?
The InChIKey is APOHKSPSUXJOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O5/c1-7-9-11-12-28(32(38)34(4)19-10-8-2)33-30(36)21-26-22(3)35(29-18-17-25(40-6)20-27(26)29)31(37)23-13-15-24(39-5)16-14-23/h13-18,20,28H,7-12,19,21H2,1-6H3,(H,33,36).
What are the key properties of N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide?
N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide has a molecular weight of 549.71 g/mol, XLogP of 5.52, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide is sourced from PubChem (CID 67563555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).