3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide

C30H28N2O2 — CID 3986861

IUPAC3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
SMILESO=C(CC(Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C30H28N2O2/c33-30(31-20-26-14-9-17-34-26)19-25(18-23-10-3-1-4-11-23)28-22-32(21-24-12-5-2-6-13-24)29-16-8-7-15-27(28)29/h1-17,22,25H,18-21H2,(H,31,33)
InChIKeyYUOLUSWEOFGCRD-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.32
Rot. Bonds9

About 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide

3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide (PubChem CID 3986861) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
PubChem CID3986861
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Name3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
SMILESO=C(CC(Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C30H28N2O2/c33-30(31-20-26-14-9-17-34-26)19-25(18-23-10-3-1-4-11-23)28-22-32(21-24-12-5-2-6-13-24)29-16-8-7-15-27(28)29/h1-17,22,25H,18-21H2,(H,31,33)
InChIKeyYUOLUSWEOFGCRD-UHFFFAOYSA-N
XLogP6.32
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide
CID 83285109
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide
CID 42777986
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide
CID 34241101
3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide
CID 42774882
3-(1-benzylindol-3-yl)-N-ethoxy-4-phenylbutanamide
CID 42777985
3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 71957654
N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide
CID 83274949
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide
CID 83275455
(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide
CID 98443576
(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 98444385

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide (CID 3986861) is 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide is O=C(CC(Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide?
The InChIKey is YUOLUSWEOFGCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c33-30(31-20-26-14-9-17-34-26)19-25(18-23-10-3-1-4-11-23)28-22-32(21-24-12-5-2-6-13-24)29-16-8-7-15-27(28)29/h1-17,22,25H,18-21H2,(H,31,33).
What are the key properties of 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide?
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide has a molecular weight of 448.57 g/mol, XLogP of 6.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide is sourced from PubChem (CID 3986861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).