1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide

C15H22N2O3 — CID 110882119

IUPAC1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(OCC(O)CN2CCCC2C(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-11-4-6-13(7-5-11)20-10-12(18)9-17-8-2-3-14(17)15(16)19/h4-7,12,14,18H,2-3,8-10H2,1H3,(H2,16,19)
InChIKeyYLMPRXDCDZADMT-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.68
Rot. Bonds6

About 1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide

1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide (PubChem CID 110882119) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
PubChem CID110882119
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(OCC(O)CN2CCCC2C(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-11-4-6-13(7-5-11)20-10-12(18)9-17-8-2-3-14(17)15(16)19/h4-7,12,14,18H,2-3,8-10H2,1H3,(H2,16,19)
InChIKeyYLMPRXDCDZADMT-UHFFFAOYSA-N
XLogP0.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124735118
1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 75402215
(3S)-2-[2-hydroxy-3-(4-methylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 87040204
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
CID 111102933
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 110877404
ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
CID 82775121
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
(2S)-1-(4-methylphenoxy)-3-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95610213
(2S)-1-[(2S)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrrolidine-2-carboxamide
CID 124784992
N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 110903400
1-(4-methylphenoxy)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 111114259

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide (CID 110882119) is 1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide is Cc1ccc(OCC(O)CN2CCCC2C(N)=O)cc1.
What is the InChIKey of 1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide?
The InChIKey is YLMPRXDCDZADMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-4-6-13(7-5-11)20-10-12(18)9-17-8-2-3-14(17)15(16)19/h4-7,12,14,18H,2-3,8-10H2,1H3,(H2,16,19).
What are the key properties of 1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide?
1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110882119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).