N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide

C15H23N3O — CID 119862283

IUPACN-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCNC1)Cc1ccccc1
InChIInChI=1S/C15H23N3O/c1-18(12-13-5-3-2-4-6-13)10-9-17-15(19)14-7-8-16-11-14/h2-6,14,16H,7-12H2,1H3,(H,17,19)
InChIKeyVFTUUYWCHMDNLJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.84
Rot. Bonds6

About N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide

N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 119862283) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
PubChem CID119862283
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCNC1)Cc1ccccc1
InChIInChI=1S/C15H23N3O/c1-18(12-13-5-3-2-4-6-13)10-9-17-15(19)14-7-8-16-11-14/h2-6,14,16H,7-12H2,1H3,(H,17,19)
InChIKeyVFTUUYWCHMDNLJ-UHFFFAOYSA-N
XLogP0.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
CID 119896338
benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid
CID 67218488
N-[3-(N-methylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005380
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 119862236
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005189
benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate
CID 54157501
N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide
CID 119731795
N-(2,2-dimethyl-3-phenylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119794374

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide (CID 119862283) is N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide is CN(CCNC(=O)C1CCNC1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is VFTUUYWCHMDNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(12-13-5-3-2-4-6-13)10-9-17-15(19)14-7-8-16-11-14/h2-6,14,16H,7-12H2,1H3,(H,17,19).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide?
N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119862283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).