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

C15H22N2O2 — CID 114760850

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC2(O)CCNC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12-2-4-13(5-3-12)6-7-14(18)17-11-15(19)8-9-16-10-15/h2-5,16,19H,6-11H2,1H3,(H,17,18)
InChIKeySKWYILPAXXUQSG-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.77
Rot. Bonds5

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

N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide (PubChem CID 114760850) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
PubChem CID114760850
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC2(O)CCNC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12-2-4-13(5-3-12)6-7-14(18)17-11-15(19)8-9-16-10-15/h2-5,16,19H,6-11H2,1H3,(H,17,18)
InChIKeySKWYILPAXXUQSG-UHFFFAOYSA-N
XLogP0.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxythiolan-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 111596948
3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide
CID 96526783
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
CID 99991938
3-(4-fluorophenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]propanamide
CID 91760690
3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide
CID 124752089
3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039118
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide
CID 91836814
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide (CID 114760850) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCC2(O)CCNC2)cc1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide?
The InChIKey is SKWYILPAXXUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-2-4-13(5-3-12)6-7-14(18)17-11-15(19)8-9-16-10-15/h2-5,16,19H,6-11H2,1H3,(H,17,18).
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 114760850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).