N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide

C14H18N2O3 — CID 111561910

IUPACN-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C14H18N2O3/c1-2-13(18)15-11-5-3-4-10(8-11)14(19)16-7-6-12(17)9-16/h3-5,8,12,17H,2,6-7,9H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyIYQRWHDRAXYGDO-GFCCVEGCSA-N
MW262.31 g/mol
LogP1.24
Rot. Bonds3

About N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide

N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide (PubChem CID 111561910) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
PubChem CID111561910
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C14H18N2O3/c1-2-13(18)15-11-5-3-4-10(8-11)14(19)16-7-6-12(17)9-16/h3-5,8,12,17H,2,6-7,9H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyIYQRWHDRAXYGDO-GFCCVEGCSA-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-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
N-[3-(piperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119402184
5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid
CID 122118740
N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 156609246
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
CID 55178587
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 110884052
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
(3S,4S)-1-[3-(propanoylamino)benzoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950477
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide (CID 111561910) is N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide is CCC(=O)Nc1cccc(C(=O)N2CC[C@@H](O)C2)c1.
What is the InChIKey of N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide?
The InChIKey is IYQRWHDRAXYGDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-13(18)15-11-5-3-4-10(8-11)14(19)16-7-6-12(17)9-16/h3-5,8,12,17H,2,6-7,9H2,1H3,(H,15,18)/t12-/m1/s1.
What are the key properties of N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide?
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide 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-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 111561910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).