5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide

C19H24N2O3 — CID 96525205

IUPAC5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)N[C@H](c2ccccc2C)C(C)C)o1
InChIInChI=1S/C19H24N2O3/c1-12(2)18(16-8-6-5-7-13(16)3)21-19(23)17-10-9-15(24-17)11-20-14(4)22/h5-10,12,18H,11H2,1-4H3,(H,20,22)(H,21,23)/t18-/m0/s1
InChIKeyHHYSSUQIGKNZAJ-SFHVURJKSA-N
MW328.41 g/mol
LogP3.35
Rot. Bonds6

About 5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide

5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide (PubChem CID 96525205) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide
PubChem CID96525205
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)N[C@H](c2ccccc2C)C(C)C)o1
InChIInChI=1S/C19H24N2O3/c1-12(2)18(16-8-6-5-7-13(16)3)21-19(23)17-10-9-15(24-17)11-20-14(4)22/h5-10,12,18H,11H2,1-4H3,(H,20,22)(H,21,23)/t18-/m0/s1
InChIKeyHHYSSUQIGKNZAJ-SFHVURJKSA-N
XLogP3.35
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide
CID 95157907
5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]-N-methylfuran-2-carboxamide
CID 72932314
2-methyl-N-[2-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 95631821
5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide
CID 97246805
N-[(2R)-2-(2-methylphenyl)propyl]acetamide
CID 138978535
5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 46513558
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 97453798
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
CID 111506259
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
methyl 5-[(2-propan-2-ylanilino)methyl]furan-2-carboxylate
CID 43229669
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886
5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246063

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide (CID 96525205) is 5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide is CC(=O)NCc1ccc(C(=O)N[C@H](c2ccccc2C)C(C)C)o1.
What is the InChIKey of 5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide?
The InChIKey is HHYSSUQIGKNZAJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(2)18(16-8-6-5-7-13(16)3)21-19(23)17-10-9-15(24-17)11-20-14(4)22/h5-10,12,18H,11H2,1-4H3,(H,20,22)(H,21,23)/t18-/m0/s1.
What are the key properties of 5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide?
5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide is sourced from PubChem (CID 96525205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).