N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide

C28H29N3O2 — CID 83288380

IUPACN-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide
SMILESCCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C28H29N3O2/c1-3-4-16-31-25-15-14-24(30-27(32)22-12-10-20(2)11-13-22)17-23(25)18-26(31)28(33)29-19-21-8-6-5-7-9-21/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyUBAPEXSUCDGWGO-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.93
Rot. Bonds8

About N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide

N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide (PubChem CID 83288380) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide
PubChem CID83288380
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC NameN-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide
SMILESCCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C28H29N3O2/c1-3-4-16-31-25-15-14-24(30-27(32)22-12-10-20(2)11-13-22)17-23(25)18-26(31)28(33)29-19-21-8-6-5-7-9-21/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyUBAPEXSUCDGWGO-UHFFFAOYSA-N
XLogP5.93
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83281798
N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide
CID 91635045
1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 83288364
N-benzyl-1-[(3-methylphenyl)methyl]-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
CID 83287300
5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
CID 83281983
5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 83281992
N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 83289579
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
N-[3-(benzylcarbamoylamino)-4-pyrrolidin-1-ylphenyl]-4-methylbenzamide
CID 46326423
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide?
The IUPAC name of N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide (CID 83288380) is N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide is CCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide?
The InChIKey is UBAPEXSUCDGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-3-4-16-31-25-15-14-24(30-27(32)22-12-10-20(2)11-13-22)17-23(25)18-26(31)28(33)29-19-21-8-6-5-7-9-21/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide?
N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide is sourced from PubChem (CID 83288380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).