N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide

C16H21N3O3 — CID 100683266

IUPACN-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide
SMILESC=CCN1CC[C@H](Nc2cccc(C(=O)NCCO)c2)C1=O
InChIInChI=1S/C16H21N3O3/c1-2-8-19-9-6-14(16(19)22)18-13-5-3-4-12(11-13)15(21)17-7-10-20/h2-5,11,14,18,20H,1,6-10H2,(H,17,21)/t14-/m0/s1
InChIKeyZKFOMASDUSBZRC-AWEZNQCLSA-N
MW303.36 g/mol
LogP0.61
Rot. Bonds7

About N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide

N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide (PubChem CID 100683266) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide
PubChem CID100683266
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide
SMILESC=CCN1CC[C@H](Nc2cccc(C(=O)NCCO)c2)C1=O
InChIInChI=1S/C16H21N3O3/c1-2-8-19-9-6-14(16(19)22)18-13-5-3-4-12(11-13)15(21)17-7-10-20/h2-5,11,14,18,20H,1,6-10H2,(H,17,21)/t14-/m0/s1
InChIKeyZKFOMASDUSBZRC-AWEZNQCLSA-N
XLogP0.61
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]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

N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 99625911
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
CID 78885620
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43680712
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 51130554
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515028

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide (CID 100683266) is N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide is C=CCN1CC[C@H](Nc2cccc(C(=O)NCCO)c2)C1=O.
What is the InChIKey of N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide?
The InChIKey is ZKFOMASDUSBZRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-8-19-9-6-14(16(19)22)18-13-5-3-4-12(11-13)15(21)17-7-10-20/h2-5,11,14,18,20H,1,6-10H2,(H,17,21)/t14-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide?
N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide has a molecular weight of 303.36 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[[(3S)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]amino]benzamide is sourced from PubChem (CID 100683266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).