N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide

C14H18N2O3 — CID 66262101

IUPACN-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC[C@H]2CO)c1
InChIInChI=1S/C14H18N2O3/c1-10(18)15-12-5-2-4-11(8-12)14(19)16-7-3-6-13(16)9-17/h2,4-5,8,13,17H,3,6-7,9H2,1H3,(H,15,18)/t13-/m0/s1
InChIKeyYEXMUKKJBZYWGT-ZDUSSCGKSA-N
MW262.31 g/mol
LogP1.24
Rot. Bonds3

About N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide

N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide (PubChem CID 66262101) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
PubChem CID66262101
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC[C@H]2CO)c1
InChIInChI=1S/C14H18N2O3/c1-10(18)15-12-5-2-4-11(8-12)14(19)16-7-3-6-13(16)9-17/h2,4-5,8,13,17H,3,6-7,9H2,1H3,(H,15,18)/t13-/m0/s1
InChIKeyYEXMUKKJBZYWGT-ZDUSSCGKSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea
CID 119633495
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
3-[2-(hydroxymethyl)azepane-1-carbonyl]benzoic acid
CID 116635788
(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119651472
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 51160926
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105
[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 83625399
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
3-[2-(hydroxymethyl)piperidine-1-carbonyl]benzenecarbothioamide
CID 61407355

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide (CID 66262101) is N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCC[C@H]2CO)c1.
What is the InChIKey of N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide?
The InChIKey is YEXMUKKJBZYWGT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(18)15-12-5-2-4-11(8-12)14(19)16-7-3-6-13(16)9-17/h2,4-5,8,13,17H,3,6-7,9H2,1H3,(H,15,18)/t13-/m0/s1.
What are the key properties of N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide?
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 66262101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).