4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide

C15H22N2O3 — CID 43703463

IUPAC4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C1CC(O)CN1
InChIInChI=1S/C15H22N2O3/c1-9-4-5-14(20-3)12(6-9)10(2)17-15(19)13-7-11(18)8-16-13/h4-6,10-11,13,16,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyNFSPJTKCPIZLDL-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.90
Rot. Bonds4

About 4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 43703463) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID43703463
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C1CC(O)CN1
InChIInChI=1S/C15H22N2O3/c1-9-4-5-14(20-3)12(6-9)10(2)17-15(19)13-7-11(18)8-16-13/h4-6,10-11,13,16,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyNFSPJTKCPIZLDL-UHFFFAOYSA-N
XLogP0.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43712314
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94875015
4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81380061
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542
(2R,4S)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 93266684
2-(azetidin-3-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 64615985
3-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 63043593
(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412352
(2R)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412359

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 43703463) is 4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide is COc1ccc(C)cc1C(C)NC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is NFSPJTKCPIZLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-4-5-14(20-3)12(6-9)10(2)17-15(19)13-7-11(18)8-16-13/h4-6,10-11,13,16,18H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43703463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).