N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide

C23H24N2O3 — CID 110349208

IUPACN-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)NCc1ccco1
InChIInChI=1S/C23H24N2O3/c1-16(2)21(23(27)24-15-20-12-7-13-28-20)25-22(26)19-11-6-10-18(14-19)17-8-4-3-5-9-17/h3-14,16,21H,15H2,1-2H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyZXKXPTZMGVKDFV-NRFANRHFSA-N
MW376.46 g/mol
LogP4.02
Rot. Bonds7

About N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide

N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide (PubChem CID 110349208) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide
PubChem CID110349208
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)NCc1ccco1
InChIInChI=1S/C23H24N2O3/c1-16(2)21(23(27)24-15-20-12-7-13-28-20)25-22(26)19-11-6-10-18(14-19)17-8-4-3-5-9-17/h3-14,16,21H,15H2,1-2H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyZXKXPTZMGVKDFV-NRFANRHFSA-N
XLogP4.02
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 42704052
2,6-difluoro-N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 43011713
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 41143393
N-[(2S)-1-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9079883
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-3-phenylbenzamide
CID 110345892
4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 134050577
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
CID 110351242
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841912
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide?
The IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide (CID 110349208) is N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide?
The canonical SMILES for N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide is CC(C)[C@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)NCc1ccco1.
What is the InChIKey of N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide?
The InChIKey is ZXKXPTZMGVKDFV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16(2)21(23(27)24-15-20-12-7-13-28-20)25-22(26)19-11-6-10-18(14-19)17-8-4-3-5-9-17/h3-14,16,21H,15H2,1-2H3,(H,24,27)(H,25,26)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide?
N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide is sourced from PubChem (CID 110349208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).