N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide

C20H18N2O3 — CID 94062874

IUPACN-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide
SMILESO=C(N[C@H](C(=O)NCc1ccoc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N2O3/c23-19(17-9-5-2-6-10-17)22-18(16-7-3-1-4-8-16)20(24)21-13-15-11-12-25-14-15/h1-12,14,18H,13H2,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyURISMUAHPRYFER-SFHVURJKSA-N
MW334.38 g/mol
LogP3.07
Rot. Bonds6

About N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide

N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide (PubChem CID 94062874) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide
PubChem CID94062874
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide
SMILESO=C(N[C@H](C(=O)NCc1ccoc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N2O3/c23-19(17-9-5-2-6-10-17)22-18(16-7-3-1-4-8-16)20(24)21-13-15-11-12-25-14-15/h1-12,14,18H,13H2,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyURISMUAHPRYFER-SFHVURJKSA-N
XLogP3.07
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide
CID 60553571
2-(furan-3-ylmethylamino)-2-phenylacetic acid
CID 63204557
(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
CID 30049473
N-[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-oxo-1-phenylethyl]benzamide
CID 78865213
N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55502593
N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
CID 25391456
N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 120654480
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]benzamide
CID 100963826
N-[2-[2-(2-methylphenyl)ethylamino]-2-oxo-1-phenylethyl]benzamide
CID 55456531
N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
CID 55912679
N-(furan-3-ylmethyl)-4-hydroxybenzamide
CID 115870248

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide (CID 94062874) is N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide is O=C(N[C@H](C(=O)NCc1ccoc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide?
The InChIKey is URISMUAHPRYFER-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-19(17-9-5-2-6-10-17)22-18(16-7-3-1-4-8-16)20(24)21-13-15-11-12-25-14-15/h1-12,14,18H,13H2,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide?
N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide has a molecular weight of 334.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 94062874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).