8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide

C31H40ClN3O4 — CID 67649900

IUPAC8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide
SMILESCCN(CC)C(=O)CCCCCCCN(C(C)=O)c1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
InChIInChI=1S/C31H40ClN3O4/c1-6-33(7-2)29(37)13-11-9-8-10-12-20-34(23(4)36)30-22(3)35(28-19-18-26(39-5)21-27(28)30)31(38)24-14-16-25(32)17-15-24/h14-19,21H,6-13,20H2,1-5H3
InChIKeyCEKBIIKVGMPPSV-UHFFFAOYSA-N
MW554.13 g/mol
LogP6.86
Rot. Bonds13

About 8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide

8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide (PubChem CID 67649900) has the molecular formula C31H40ClN3O4 and a molecular weight of 554.13 g/mol. Its IUPAC name is 8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide.

Molecular Properties

Compound Name8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide
PubChem CID67649900
Molecular FormulaC31H40ClN3O4
Molecular Weight554.13 g/mol
Exact Mass553.27
IUPAC Name8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide
SMILESCCN(CC)C(=O)CCCCCCCN(C(C)=O)c1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
InChIInChI=1S/C31H40ClN3O4/c1-6-33(7-2)29(37)13-11-9-8-10-12-20-34(23(4)36)30-22(3)35(28-19-18-26(39-5)21-27(28)30)31(38)24-14-16-25(32)17-15-24/h14-19,21H,6-13,20H2,1-5H3
InChIKeyCEKBIIKVGMPPSV-UHFFFAOYSA-N
XLogP6.86
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.13
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]hexanoic acid
CID 142660572
8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid
CID 142660583
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N,N-dimethylacetamide
CID 70378051
N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 162401636
potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride
CID 173442022
N-(4-acetamidobutyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 59342785
7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide
CID 67563519
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
1-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-1-hydroxy-3-methylurea
CID 15027397
S-(2,5-dichlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]ethanethioate
CID 22765709
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994

Frequently Asked Questions

What is the IUPAC name of 8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide?
The IUPAC name of 8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide (CID 67649900) is 8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide.
What is the SMILES notation for 8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide?
The canonical SMILES for 8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide is CCN(CC)C(=O)CCCCCCCN(C(C)=O)c1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12.
What is the InChIKey of 8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide?
The InChIKey is CEKBIIKVGMPPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40ClN3O4/c1-6-33(7-2)29(37)13-11-9-8-10-12-20-34(23(4)36)30-22(3)35(28-19-18-26(39-5)21-27(28)30)31(38)24-14-16-25(32)17-15-24/h14-19,21H,6-13,20H2,1-5H3.
What are the key properties of 8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide?
8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide has a molecular weight of 554.13 g/mol, XLogP of 6.86, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide is sourced from PubChem (CID 67649900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).