N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide

C19H27N3O2 — CID 119477845

IUPACN-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCC(N)CC2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-19(18(24)21-16-10-8-15(20)9-11-16)12-5-13-22(19)17(23)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,20H2,1H3,(H,21,24)
InChIKeyLOWSLTBWFFRUDN-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.07
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide

N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide (PubChem CID 119477845) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
PubChem CID119477845
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCC(N)CC2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-19(18(24)21-16-10-8-15(20)9-11-16)12-5-13-22(19)17(23)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,20H2,1H3,(H,21,24)
InChIKeyLOWSLTBWFFRUDN-UHFFFAOYSA-N
XLogP2.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 119412358
(2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide
CID 92632529
cyclopropylmethyl 2-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]acetate
CID 56805895
N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119616462
N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119407893
1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 154780029
1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide
CID 136526263
1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119463342
1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide
CID 167910630
6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 75383687
3-[4-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120540910
N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 110249134

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide (CID 119477845) is N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)NC2CCC(N)CC2)CCCN1C(=O)c1ccccc1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
The InChIKey is LOWSLTBWFFRUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(18(24)21-16-10-8-15(20)9-11-16)12-5-13-22(19)17(23)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,20H2,1H3,(H,21,24).
What are the key properties of N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119477845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).