N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

C17H26N2O — CID 83072039

IUPACN,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)C1(CC)CCCN1
InChIInChI=1S/C17H26N2O/c1-4-17(10-7-11-18-17)16(20)19(5-2)13-15-9-6-8-14(3)12-15/h6,8-9,12,18H,4-5,7,10-11,13H2,1-3H3
InChIKeyARMZVIHJDUJMBC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.88
Rot. Bonds5

About N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 83072039) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID83072039
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)C1(CC)CCCN1
InChIInChI=1S/C17H26N2O/c1-4-17(10-7-11-18-17)16(20)19(5-2)13-15-9-6-8-14(3)12-15/h6,8-9,12,18H,4-5,7,10-11,13H2,1-3H3
InChIKeyARMZVIHJDUJMBC-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115448036
(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone
CID 116608201
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
N-ethyl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974201
(2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 116608135
N-ethyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63876380
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide
CID 63122209
N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 83064741
ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide
CID 103732620
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 81489842

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (CID 83072039) is N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is CCN(Cc1cccc(C)c1)C(=O)C1(CC)CCCN1.
What is the InChIKey of N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ARMZVIHJDUJMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-17(10-7-11-18-17)16(20)19(5-2)13-15-9-6-8-14(3)12-15/h6,8-9,12,18H,4-5,7,10-11,13H2,1-3H3.
What are the key properties of N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83072039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).