N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide

C15H22N2O3 — CID 91836814

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC1(O)CCNC1
InChIInChI=1S/C15H22N2O3/c18-14(17-12-15(19)8-9-16-11-15)7-4-10-20-13-5-2-1-3-6-13/h1-3,5-6,16,19H,4,7-12H2,(H,17,18)
InChIKeyXTGWNTRIXHVWBI-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.69
Rot. Bonds7

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide (PubChem CID 91836814) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide
PubChem CID91836814
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC1(O)CCNC1
InChIInChI=1S/C15H22N2O3/c18-14(17-12-15(19)8-9-16-11-15)7-4-10-20-13-5-2-1-3-6-13/h1-3,5-6,16,19H,4,7-12H2,(H,17,18)
InChIKeyXTGWNTRIXHVWBI-UHFFFAOYSA-N
XLogP0.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-butoxyphenyl)-3-[(3-hydroxypyrrolidin-3-yl)methyl]urea
CID 118785673
3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide
CID 124752089
4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115668822
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride
CID 154903606
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
(3S)-3-(phenoxymethyl)piperidin-3-ol
CID 129366036
2-(3-hydroxypyrrolidin-3-yl)-N-phenylacetamide
CID 84724654
4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 110443440
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-phenylpropanamide
CID 114760630
1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544218
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide (CID 91836814) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCC1(O)CCNC1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide?
The InChIKey is XTGWNTRIXHVWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(17-12-15(19)8-9-16-11-15)7-4-10-20-13-5-2-1-3-6-13/h1-3,5-6,16,19H,4,7-12H2,(H,17,18).
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide has a molecular weight of 278.35 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide is sourced from PubChem (CID 91836814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).