N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide

C16H20N2O3 — CID 111696877

IUPACN-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)N[C@@H]1C=C[C@H](CO)C1)C(=O)c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-18(16(21)13-5-3-2-4-6-13)10-15(20)17-14-8-7-12(9-14)11-19/h2-8,12,14,19H,9-11H2,1H3,(H,17,20)/t12-,14+/m0/s1
InChIKeyHWCXMEAYGCJEFD-GXTWGEPZSA-N
MW288.35 g/mol
LogP0.81
Rot. Bonds5

About N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide

N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 111696877) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide
PubChem CID111696877
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)N[C@@H]1C=C[C@H](CO)C1)C(=O)c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-18(16(21)13-5-3-2-4-6-13)10-15(20)17-14-8-7-12(9-14)11-19/h2-8,12,14,19H,9-11H2,1H3,(H,17,20)/t12-,14+/m0/s1
InChIKeyHWCXMEAYGCJEFD-GXTWGEPZSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-4-oxobutyl]benzamide
CID 111661232
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide
CID 111661356
N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 115877489
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide
CID 111661254
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 62518984
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(E)-3-phenylprop-2-enyl]urea
CID 111631019
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
CID 111696706
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630600
1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449986
N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 106164142

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide (CID 111696877) is N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)N[C@@H]1C=C[C@H](CO)C1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is HWCXMEAYGCJEFD-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(16(21)13-5-3-2-4-6-13)10-15(20)17-14-8-7-12(9-14)11-19/h2-8,12,14,19H,9-11H2,1H3,(H,17,20)/t12-,14+/m0/s1.
What are the key properties of N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 288.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 111696877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).