N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

C18H24N2O3 — CID 97434100

IUPACN-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@H](c2ccccc2)CC1=O)NC1(CO)CCCC1
InChIInChI=1S/C18H24N2O3/c21-13-18(8-4-5-9-18)19-16(22)12-20-11-15(10-17(20)23)14-6-2-1-3-7-14/h1-3,6-7,15,21H,4-5,8-13H2,(H,19,22)/t15-/m1/s1
InChIKeyBLSLEFKYXHHMDW-OAHLLOKOSA-N
MW316.40 g/mol
LogP1.42
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (PubChem CID 97434100) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
PubChem CID97434100
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@H](c2ccccc2)CC1=O)NC1(CO)CCCC1
InChIInChI=1S/C18H24N2O3/c21-13-18(8-4-5-9-18)19-16(22)12-20-11-15(10-17(20)23)14-6-2-1-3-7-14/h1-3,6-7,15,21H,4-5,8-13H2,(H,19,22)/t15-/m1/s1
InChIKeyBLSLEFKYXHHMDW-OAHLLOKOSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 72841984
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
2-[[2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]amino]acetamide
CID 7038489
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
N-(4-fluorophenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 5307809
N-(2-methylphenyl)-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 851505
N-(2-ethylphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 4198758
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 62521635
N-cyclopropyl-2-[4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]acetamide
CID 131896576
N-[1-(hydroxymethyl)cyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55082313
(2S)-N-benzyl-4-methyl-2-[[2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]amino]pentanamide
CID 7073653
N-[(4-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 1237733

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (CID 97434100) is N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is O=C(CN1C[C@H](c2ccccc2)CC1=O)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is BLSLEFKYXHHMDW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-13-18(8-4-5-9-18)19-16(22)12-20-11-15(10-17(20)23)14-6-2-1-3-7-14/h1-3,6-7,15,21H,4-5,8-13H2,(H,19,22)/t15-/m1/s1.
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 97434100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).