N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide

C15H22N2O2 — CID 63261449

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC(CO)Cc2ccccc2)CCNC1
InChIInChI=1S/C15H22N2O2/c1-15(7-8-16-11-15)14(19)17-13(10-18)9-12-5-3-2-4-6-12/h2-6,13,16,18H,7-11H2,1H3,(H,17,19)
InChIKeyXYGJQBHPSMRODG-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.71
Rot. Bonds5

About N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide

N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63261449) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63261449
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC(CO)Cc2ccccc2)CCNC1
InChIInChI=1S/C15H22N2O2/c1-15(7-8-16-11-15)14(19)17-13(10-18)9-12-5-3-2-4-6-12/h2-6,13,16,18H,7-11H2,1H3,(H,17,19)
InChIKeyXYGJQBHPSMRODG-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123
(2S)-2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 104983323
1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
CID 102677400
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide
CID 63264607
3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
CID 63139520
N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 129478894
1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 107860983
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide
CID 74240515
3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 55165528
3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid
CID 63142311

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide (CID 63261449) is N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NC(CO)Cc2ccccc2)CCNC1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is XYGJQBHPSMRODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(7-8-16-11-15)14(19)17-13(10-18)9-12-5-3-2-4-6-12/h2-6,13,16,18H,7-11H2,1H3,(H,17,19).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63261449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).