N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide

C17H24N2O — CID 63138591

IUPACN-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(Cc2ccccc2)C2CC2)CCNC1
InChIInChI=1S/C17H24N2O/c1-2-17(10-11-18-13-17)16(20)19(15-8-9-15)12-14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3
InChIKeyKTCZRHLBHWGHDV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.57
Rot. Bonds5

About N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide

N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63138591) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
PubChem CID63138591
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(Cc2ccccc2)C2CC2)CCNC1
InChIInChI=1S/C17H24N2O/c1-2-17(10-11-18-13-17)16(20)19(15-8-9-15)12-14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3
InChIKeyKTCZRHLBHWGHDV-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-ethyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 63128438
3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141640
N-butyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63143362
2-[cyclopentyl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63141424
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
N-cyclopropyl-N,4-diethylpiperidine-4-carboxamide
CID 63127607
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140326
3-[cyclopropyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid
CID 63128710
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
N,3-diethyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 63131546

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide (CID 63138591) is N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)N(Cc2ccccc2)C2CC2)CCNC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is KTCZRHLBHWGHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-17(10-11-18-13-17)16(20)19(15-8-9-15)12-14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3.
What are the key properties of N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide?
N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).