N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide

C16H22N2O2 — CID 79388375

IUPACN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H22N2O2/c1-11-15(7-8-17-11)16(20)18(13-5-6-13)10-12-3-2-4-14(19)9-12/h2-4,9,11,13,15,17,19H,5-8,10H2,1H3
InChIKeyLNOYLHPATIEVTC-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.88
Rot. Bonds4

About N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide

N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388375) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79388375
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H22N2O2/c1-11-15(7-8-17-11)16(20)18(13-5-6-13)10-12-3-2-4-14(19)9-12/h2-4,9,11,13,15,17,19H,5-8,10H2,1H3
InChIKeyLNOYLHPATIEVTC-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide (CID 79388375) is N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is LNOYLHPATIEVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-15(7-8-17-11)16(20)18(13-5-6-13)10-12-3-2-4-14(19)9-12/h2-4,9,11,13,15,17,19H,5-8,10H2,1H3.
What are the key properties of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide?
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).