N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C15H27N3O2 — CID 106979816

IUPACN-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NC2CCC(C(N)=O)CC2)CCNC1
InChIInChI=1S/C15H27N3O2/c1-10(2)15(7-8-17-9-15)14(20)18-12-5-3-11(4-6-12)13(16)19/h10-12,17H,3-9H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyGICCOZZUDJTHHH-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.78
Rot. Bonds4

About N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979816) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979816
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NC2CCC(C(N)=O)CC2)CCNC1
InChIInChI=1S/C15H27N3O2/c1-10(2)15(7-8-17-9-15)14(20)18-12-5-3-11(4-6-12)13(16)19/h10-12,17H,3-9H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyGICCOZZUDJTHHH-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981352
3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 106979930
N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980679
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-cyclopropyl-1-propan-2-ylcyclopropane-1-carboxamide
CID 130695235
N-(3-ethylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980796
N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114178691
N-cyclopropyl-4-methyl-1-propan-2-ylcyclohexane-1-carboxamide
CID 130472552
methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate
CID 106980384
1-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 43698376
cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982353
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 106980598

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979816) is N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NC2CCC(C(N)=O)CC2)CCNC1.
What is the InChIKey of N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is GICCOZZUDJTHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)15(7-8-17-9-15)14(20)18-12-5-3-11(4-6-12)13(16)19/h10-12,17H,3-9H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).