N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide

C13H23N3O2 — CID 47280598

IUPACN-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide
SMILESCC1CCC(N(CC(=O)NC(N)=O)C2CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-9-2-4-10(5-3-9)16(11-6-7-11)8-12(17)15-13(14)18/h9-11H,2-8H2,1H3,(H3,14,15,17,18)
InChIKeyJSTVBCZDPMLRTR-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.22
Rot. Bonds4

About N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide

N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide (PubChem CID 47280598) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide
PubChem CID47280598
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide
SMILESCC1CCC(N(CC(=O)NC(N)=O)C2CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-9-2-4-10(5-3-9)16(11-6-7-11)8-12(17)15-13(14)18/h9-11H,2-8H2,1H3,(H3,14,15,17,18)
InChIKeyJSTVBCZDPMLRTR-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide?
The IUPAC name of N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide (CID 47280598) is N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide?
The canonical SMILES for N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide is CC1CCC(N(CC(=O)NC(N)=O)C2CC2)CC1.
What is the InChIKey of N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide?
The InChIKey is JSTVBCZDPMLRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-2-4-10(5-3-9)16(11-6-7-11)8-12(17)15-13(14)18/h9-11H,2-8H2,1H3,(H3,14,15,17,18).
What are the key properties of N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide?
N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide has a molecular weight of 253.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide is sourced from PubChem (CID 47280598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).