N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide

C29H32N2O — CID 83279529

IUPACN-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(CC(=O)NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C29H32N2O/c1-29(2,3)26(18-28(32)30-19-22-12-6-4-7-13-22)25-21-31(20-23-14-8-5-9-15-23)27-17-11-10-16-24(25)27/h4-17,21,26H,18-20H2,1-3H3,(H,30,32)
InChIKeyXETXESIPRTWMEM-UHFFFAOYSA-N
MW424.59 g/mol
LogP6.53
Rot. Bonds7

About N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide

N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide (PubChem CID 83279529) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide
PubChem CID83279529
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC NameN-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(CC(=O)NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C29H32N2O/c1-29(2,3)26(18-28(32)30-19-22-12-6-4-7-13-22)25-21-31(20-23-14-8-5-9-15-23)27-17-11-10-16-24(25)27/h4-17,21,26H,18-20H2,1-3H3,(H,30,32)
InChIKeyXETXESIPRTWMEM-UHFFFAOYSA-N
XLogP6.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide
CID 83274949
N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide
CID 83285550
N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide
CID 83285109
(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98926923
(3R)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926939
(3S)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926938
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967
(3R)-3-(1-benzylindol-3-yl)-3-(3,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 93110594
(3S)-3-(1-benzylindol-3-yl)-3-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98524903
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
CID 3986861
3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide
CID 42777986
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide?
The IUPAC name of N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide (CID 83279529) is N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide?
The canonical SMILES for N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide is CC(C)(C)C(CC(=O)NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide?
The InChIKey is XETXESIPRTWMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c1-29(2,3)26(18-28(32)30-19-22-12-6-4-7-13-22)25-21-31(20-23-14-8-5-9-15-23)27-17-11-10-16-24(25)27/h4-17,21,26H,18-20H2,1-3H3,(H,30,32).
What are the key properties of N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide?
N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide has a molecular weight of 424.59 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 83279529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).