N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide

C22H24N2O2 — CID 102151860

IUPACN-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide
SMILESC=CCNC(=O)[C@@](CC=C)(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-15-22(21(26)23-16-4-2,17-18-11-7-5-8-12-18)24-20(25)19-13-9-6-10-14-19/h3-14H,1-2,15-17H2,(H,23,26)(H,24,25)/t22-/m1/s1
InChIKeyRGVJVSDBMVRFRX-JOCHJYFZSA-N
MW348.45 g/mol
LogP3.28
Rot. Bonds9

About N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide

N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide (PubChem CID 102151860) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide
PubChem CID102151860
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide
SMILESC=CCNC(=O)[C@@](CC=C)(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-15-22(21(26)23-16-4-2,17-18-11-7-5-8-12-18)24-20(25)19-13-9-6-10-14-19/h3-14H,1-2,15-17H2,(H,23,26)(H,24,25)/t22-/m1/s1
InChIKeyRGVJVSDBMVRFRX-JOCHJYFZSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide 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

methyl 2-benzyl-2-[(4-methylbenzoyl)amino]pent-4-enoate
CID 102084219
(2S)-2-benzyl-2-(methoxycarbonylamino)pent-4-enoic acid
CID 67855850
4-ethynyl-N-[4-(3-phenylpropanoyl)hepta-1,6-dien-4-yl]benzamide
CID 160993571
N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide
CID 23007822
methyl (2S)-2-benzyl-2-(phenylmethoxycarbonylamino)pent-4-enoate
CID 18648848
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
methyl (2S,3E)-2-benzamido-2-benzyl-5-phenylhexa-3,5-dienoate
CID 101108457
3-benzyl-3-prop-2-enylpentane-2,4-dione
CID 154723587
N-benzyl-4-(prop-2-enylcarbamothioylamino)benzamide
CID 28640054
2-methyl-3-phenyl-2-(prop-2-enylamino)propanoic acid
CID 114988665
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide
CID 4882562

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide?
The IUPAC name of N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide (CID 102151860) is N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide?
The canonical SMILES for N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide is C=CCNC(=O)[C@@](CC=C)(Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide?
The InChIKey is RGVJVSDBMVRFRX-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-15-22(21(26)23-16-4-2,17-18-11-7-5-8-12-18)24-20(25)19-13-9-6-10-14-19/h3-14H,1-2,15-17H2,(H,23,26)(H,24,25)/t22-/m1/s1.
What are the key properties of N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide?
N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-benzyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]benzamide is sourced from PubChem (CID 102151860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).