N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide

C16H22N2O — CID 55149693

IUPACN-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(CN(C(=O)C2CCNC2)C2CC2)cc1
InChIInChI=1S/C16H22N2O/c1-12-2-4-13(5-3-12)11-18(15-6-7-15)16(19)14-8-9-17-10-14/h2-5,14-15,17H,6-11H2,1H3
InChIKeyHDUKMPLAVBYAFI-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.10
Rot. Bonds4

About N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide

N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 55149693) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID55149693
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(CN(C(=O)C2CCNC2)C2CC2)cc1
InChIInChI=1S/C16H22N2O/c1-12-2-4-13(5-3-12)11-18(15-6-7-15)16(19)14-8-9-17-10-14/h2-5,14-15,17H,6-11H2,1H3
InChIKeyHDUKMPLAVBYAFI-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119740768
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718
N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119806895
N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706995
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide
CID 119805938
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60948626
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 54872044
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide (CID 55149693) is N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide is Cc1ccc(CN(C(=O)C2CCNC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is HDUKMPLAVBYAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-2-4-13(5-3-12)11-18(15-6-7-15)16(19)14-8-9-17-10-14/h2-5,14-15,17H,6-11H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide?
N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55149693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).