N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide

C15H22N2O2 — CID 91339550

IUPACN-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(CC(CO)NC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12-4-6-13(7-5-12)10-14(11-18)16-15(19)17-8-2-3-9-17/h4-7,14,18H,2-3,8-11H2,1H3,(H,16,19)
InChIKeyVAESFURMJNCHOT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds4

About N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide

N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 91339550) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
PubChem CID91339550
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(CC(CO)NC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12-4-6-13(7-5-12)10-14(11-18)16-15(19)17-8-2-3-9-17/h4-7,14,18H,2-3,8-11H2,1H3,(H,16,19)
InChIKeyVAESFURMJNCHOT-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide
CID 99778730
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 22905459
(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide
CID 97025766
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
N-[(2S)-1-(4-methylphenyl)butan-2-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 96995556
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
2-[(4-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 82117724
(2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide
CID 97242012

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide (CID 91339550) is N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide is Cc1ccc(CC(CO)NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is VAESFURMJNCHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-6-13(7-5-12)10-14(11-18)16-15(19)17-8-2-3-9-17/h4-7,14,18H,2-3,8-11H2,1H3,(H,16,19).
What are the key properties of N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91339550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).