N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide

C15H22N2O2 — CID 110012580

IUPACN-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCCc2ccc(CO)cc2)CCCN1
InChIInChI=1S/C15H22N2O2/c1-15(8-2-9-17-15)14(19)16-10-7-12-3-5-13(11-18)6-4-12/h3-6,17-18H,2,7-11H2,1H3,(H,16,19)
InChIKeyKFWOKXZPDCUQOJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.98
Rot. Bonds5

About N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide

N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 110012580) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID110012580
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCCc2ccc(CO)cc2)CCCN1
InChIInChI=1S/C15H22N2O2/c1-15(8-2-9-17-15)14(19)16-10-7-12-3-5-13(11-18)6-4-12/h3-6,17-18H,2,7-11H2,1H3,(H,16,19)
InChIKeyKFWOKXZPDCUQOJ-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 106175171
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 64680133
N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide
CID 66169338
N-(3-hydroxy-2-methylpropyl)-2-methylpyrrolidine-2-carboxamide
CID 65036100
2-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 104761059
4-[[(2-methylpiperidine-2-carbonyl)amino]methyl]benzoic acid
CID 104596566
4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
N-but-3-ynyl-2-methylpiperidine-2-carboxamide
CID 104596852

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide (CID 110012580) is N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)NCCc2ccc(CO)cc2)CCCN1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is KFWOKXZPDCUQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(8-2-9-17-15)14(19)16-10-7-12-3-5-13(11-18)6-4-12/h3-6,17-18H,2,7-11H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide?
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110012580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).