N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C14H18N2O3 — CID 62917587

IUPACN-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C14H18N2O3/c1-10(17)15-8-11-2-4-12(5-3-11)14(19)16-7-6-13(18)9-16/h2-5,13,18H,6-9H2,1H3,(H,15,17)
InChIKeyNYWAXPHYGGZLOB-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.53
Rot. Bonds3

About N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide

N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 62917587) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID62917587
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C14H18N2O3/c1-10(17)15-8-11-2-4-12(5-3-11)14(19)16-7-6-13(18)9-16/h2-5,13,18H,6-9H2,1H3,(H,15,17)
InChIKeyNYWAXPHYGGZLOB-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]acetamide
CID 43393426
N-[[4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 79404212
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
N-[[4-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 95759214
N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 124691388
N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 66291157
N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide
CID 62917262
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 62917136
(3R,4R)-1-[4-(acetamidomethyl)benzoyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979326

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 62917587) is N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CCC(O)C2)cc1.
What is the InChIKey of N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is NYWAXPHYGGZLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(17)15-8-11-2-4-12(5-3-11)14(19)16-7-6-13(18)9-16/h2-5,13,18H,6-9H2,1H3,(H,15,17).
What are the key properties of N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 62917587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).