3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide

C17H21NO2 — CID 43054971

IUPAC3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
SMILESCc1ccoc1C(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-12(2)11-15(14-7-5-4-6-8-14)18-17(19)16-13(3)9-10-20-16/h4-10,12,15H,11H2,1-3H3,(H,18,19)
InChIKeyCAPLWDMVMHHLHW-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.11
Rot. Bonds5

About 3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide

3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide (PubChem CID 43054971) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
PubChem CID43054971
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
SMILESCc1ccoc1C(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-12(2)11-15(14-7-5-4-6-8-14)18-17(19)16-13(3)9-10-20-16/h4-10,12,15H,11H2,1-3H3,(H,18,19)
InChIKeyCAPLWDMVMHHLHW-UHFFFAOYSA-N
XLogP4.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-2-carboxamide
CID 124847738
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 84583373
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
(3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 97233805
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide
CID 61119426
4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide (CID 43054971) is 3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide is Cc1ccoc1C(=O)NC(CC(C)C)c1ccccc1.
What is the InChIKey of 3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide?
The InChIKey is CAPLWDMVMHHLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)11-15(14-7-5-4-6-8-14)18-17(19)16-13(3)9-10-20-16/h4-10,12,15H,11H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide?
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide is sourced from PubChem (CID 43054971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).