N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide

C15H21N3O3 — CID 156609246

IUPACN-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)N2CCC(O)C2)c1
InChIInChI=1S/C15H21N3O3/c1-2-4-14(20)16-11-5-3-6-12(9-11)17-15(21)18-8-7-13(19)10-18/h3,5-6,9,13,19H,2,4,7-8,10H2,1H3,(H,16,20)(H,17,21)
InChIKeySURTVCAUBLJDLO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.02
Rot. Bonds4

About N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide

N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 156609246) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID156609246
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)N2CCC(O)C2)c1
InChIInChI=1S/C15H21N3O3/c1-2-4-14(20)16-11-5-3-6-12(9-11)17-15(21)18-8-7-13(19)10-18/h3,5-6,9,13,19H,2,4,7-8,10H2,1H3,(H,16,20)(H,17,21)
InChIKeySURTVCAUBLJDLO-UHFFFAOYSA-N
XLogP2.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118768211
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
N-[3-(butanoylamino)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156607608
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide
CID 111431591
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
(2S)-2-(aminomethyl)-N-[3-(butanoylamino)phenyl]piperidine-1-carboxamide
CID 125164189
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide (CID 156609246) is N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide is CCCC(=O)Nc1cccc(NC(=O)N2CCC(O)C2)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is SURTVCAUBLJDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-4-14(20)16-11-5-3-6-12(9-11)17-15(21)18-8-7-13(19)10-18/h3,5-6,9,13,19H,2,4,7-8,10H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 156609246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).