1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide

C18H31N3O3 — CID 5192696

IUPAC1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(C)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C18H31N3O3/c1-14(22)19-13-16(23)21(2)18(11-7-4-8-12-18)17(24)20-15-9-5-3-6-10-15/h15H,3-13H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyVTNSMXLEVHUZAB-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.73
Rot. Bonds5

About 1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide

1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide (PubChem CID 5192696) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide
PubChem CID5192696
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(C)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C18H31N3O3/c1-14(22)19-13-16(23)21(2)18(11-7-4-8-12-18)17(24)20-15-9-5-3-6-10-15/h15H,3-13H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyVTNSMXLEVHUZAB-UHFFFAOYSA-N
XLogP1.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide (CID 5192696) is 1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide is CC(=O)NCC(=O)N(C)C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of 1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide?
The InChIKey is VTNSMXLEVHUZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-14(22)19-13-16(23)21(2)18(11-7-4-8-12-18)17(24)20-15-9-5-3-6-10-15/h15H,3-13H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of 1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide?
1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamidoacetyl)-methylamino]-N-cyclohexylcyclohexane-1-carboxamide is sourced from PubChem (CID 5192696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).