N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide

C28H32N2O3 — CID 83274949

IUPACN-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide
SMILESCOc1ccc(Cn2cc(C(CC(=O)NCc3ccco3)C(C)(C)C)c3ccccc32)cc1
InChIInChI=1S/C28H32N2O3/c1-28(2,3)25(16-27(31)29-17-22-8-7-15-33-22)24-19-30(26-10-6-5-9-23(24)26)18-20-11-13-21(32-4)14-12-20/h5-15,19,25H,16-18H2,1-4H3,(H,29,31)
InChIKeyDZARAHRFQCFENZ-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.13
Rot. Bonds8

About N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide

N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide (PubChem CID 83274949) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide
PubChem CID83274949
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide
SMILESCOc1ccc(Cn2cc(C(CC(=O)NCc3ccco3)C(C)(C)C)c3ccccc32)cc1
InChIInChI=1S/C28H32N2O3/c1-28(2,3)25(16-27(31)29-17-22-8-7-15-33-22)24-19-30(26-10-6-5-9-23(24)26)18-20-11-13-21(32-4)14-12-20/h5-15,19,25H,16-18H2,1-4H3,(H,29,31)
InChIKeyDZARAHRFQCFENZ-UHFFFAOYSA-N
XLogP6.13
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 71957654
N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide
CID 83279529
(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide
CID 98443576
N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 83274952
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
CID 3986861
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)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide
CID 83275455
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
(3S)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(furan-2-ylmethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
CID 98444374
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
CID 7082801
3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 90488594

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide (CID 83274949) is N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide is COc1ccc(Cn2cc(C(CC(=O)NCc3ccco3)C(C)(C)C)c3ccccc32)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide?
The InChIKey is DZARAHRFQCFENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-28(2,3)25(16-27(31)29-17-22-8-7-15-33-22)24-19-30(26-10-6-5-9-23(24)26)18-20-11-13-21(32-4)14-12-20/h5-15,19,25H,16-18H2,1-4H3,(H,29,31).
What are the key properties of N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide?
N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide has a molecular weight of 444.58 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide is sourced from PubChem (CID 83274949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).