7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide

C29H36ClN3O4 — CID 67563519

IUPAC7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide
SMILESCCN(CC)C(=O)CCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C29H36ClN3O4/c1-4-32(5-2)28(36)10-8-6-7-9-17-31-27(35)19-24-20(3)33(26-16-15-23(34)18-25(24)26)29(37)21-11-13-22(30)14-12-21/h11-16,18,34H,4-10,17,19H2,1-3H3,(H,31,35)
InChIKeyGKSYTMTWKKWYRR-UHFFFAOYSA-N
MW526.08 g/mol
LogP5.47
Rot. Bonds12

About 7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide

7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide (PubChem CID 67563519) has the molecular formula C29H36ClN3O4 and a molecular weight of 526.08 g/mol. Its IUPAC name is 7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide.

Molecular Properties

Compound Name7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide
PubChem CID67563519
Molecular FormulaC29H36ClN3O4
Molecular Weight526.08 g/mol
Exact Mass525.24
IUPAC Name7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide
SMILESCCN(CC)C(=O)CCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C29H36ClN3O4/c1-4-32(5-2)28(36)10-8-6-7-9-17-31-27(35)19-24-20(3)33(26-16-15-23(34)18-25(24)26)29(37)21-11-13-22(30)14-12-21/h11-16,18,34H,4-10,17,19H2,1-3H3,(H,31,35)
InChIKeyGKSYTMTWKKWYRR-UHFFFAOYSA-N
XLogP5.47
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.08
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide with MolForge

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Related Compounds

N-(4-acetamidobutyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 59342785
N-butyl-2-[1-(4-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69485228
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-methoxypropyl)acetamide
CID 27556066
8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide
CID 67563567
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethylcarbamic acid
CID 66813186
N-[2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 71293802
2-[1-(4-chlorobenzoyl)-2-methyl-5-[4-[[2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]acetyl]amino]butoxy]indol-3-yl]acetic acid
CID 140877122
[1-(4-chlorobenzoyl)-3-[2-[[1-(diethylamino)-1-oxooctan-2-yl]amino]-2-oxoethyl]-2-methylindol-5-yl] acetate
CID 67561568
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-N-[4-oxo-4-(2-oxochromen-3-yl)butyl]acetamide
CID 158515561
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 4857725
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethyl selenocyanate
CID 134689877

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide?
The IUPAC name of 7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide (CID 67563519) is 7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide.
What is the SMILES notation for 7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide?
The canonical SMILES for 7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide is CCN(CC)C(=O)CCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(O)cc12.
What is the InChIKey of 7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide?
The InChIKey is GKSYTMTWKKWYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClN3O4/c1-4-32(5-2)28(36)10-8-6-7-9-17-31-27(35)19-24-20(3)33(26-16-15-23(34)18-25(24)26)29(37)21-11-13-22(30)14-12-21/h11-16,18,34H,4-10,17,19H2,1-3H3,(H,31,35).
What are the key properties of 7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide?
7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide has a molecular weight of 526.08 g/mol, XLogP of 5.47, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide is sourced from PubChem (CID 67563519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).