N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide

C15H22N2O3 — CID 120948683

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCC2CNCC2O)c1
InChIInChI=1S/C15H22N2O3/c1-10-4-3-5-13(6-10)20-11(2)15(19)17-8-12-7-16-9-14(12)18/h3-6,11-12,14,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyKESZLSPZPUQKFR-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.46
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide (PubChem CID 120948683) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide
PubChem CID120948683
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCC2CNCC2O)c1
InChIInChI=1S/C15H22N2O3/c1-10-4-3-5-13(6-10)20-11(2)15(19)17-8-12-7-16-9-14(12)18/h3-6,11-12,14,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyKESZLSPZPUQKFR-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120945285
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 120943410
2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944491
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701
2-(3-methylphenoxy)propanehydrazide
CID 3021693
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide
CID 115410151

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide (CID 120948683) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NCC2CNCC2O)c1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is KESZLSPZPUQKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-4-3-5-13(6-10)20-11(2)15(19)17-8-12-7-16-9-14(12)18/h3-6,11-12,14,16,18H,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 278.35 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 120948683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).