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

C15H22N2O3 — CID 119804985

IUPAC4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1OC(C)CNC(=O)C1CC(O)CN1
InChIInChI=1S/C15H22N2O3/c1-10-5-3-4-6-14(10)20-11(2)8-17-15(19)13-7-12(18)9-16-13/h3-6,11-13,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyHNTYAEXWIIDIOC-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.60
Rot. Bonds5

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

4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide (PubChem CID 119804985) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
PubChem CID119804985
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1OC(C)CNC(=O)C1CC(O)CN1
InChIInChI=1S/C15H22N2O3/c1-10-5-3-4-6-14(10)20-11(2)8-17-15(19)13-7-12(18)9-16-13/h3-6,11-13,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyHNTYAEXWIIDIOC-UHFFFAOYSA-N
XLogP0.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125134999
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269
4-hydroxy-N-(2-methoxy-2-phenylethyl)pyrrolidine-2-carboxamide
CID 119703911
(2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide
CID 125135014
4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 63306283
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81380061
4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
CID 119784032
2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82109450
(2S,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587806
(2R,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587807

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide (CID 119804985) is 4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide is Cc1ccccc1OC(C)CNC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide?
The InChIKey is HNTYAEXWIIDIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-5-3-4-6-14(10)20-11(2)8-17-15(19)13-7-12(18)9-16-13/h3-6,11-13,16,18H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119804985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).