N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide

C16H30N2O2 — CID 547251

IUPACN-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide
SMILESCCC(=O)NC1(C)CCC(C(C)(C)NC(=O)CC)CC1
InChIInChI=1S/C16H30N2O2/c1-6-13(19)17-15(3,4)12-8-10-16(5,11-9-12)18-14(20)7-2/h12H,6-11H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyKWHPPJJZWDPTMS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.77
Rot. Bonds5

About N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide

N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide (PubChem CID 547251) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide
PubChem CID547251
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide
SMILESCCC(=O)NC1(C)CCC(C(C)(C)NC(=O)CC)CC1
InChIInChI=1S/C16H30N2O2/c1-6-13(19)17-15(3,4)12-8-10-16(5,11-9-12)18-14(20)7-2/h12H,6-11H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyKWHPPJJZWDPTMS-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide?
The IUPAC name of N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide (CID 547251) is N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide.
What is the SMILES notation for N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide?
The canonical SMILES for N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide is CCC(=O)NC1(C)CCC(C(C)(C)NC(=O)CC)CC1.
What is the InChIKey of N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide?
The InChIKey is KWHPPJJZWDPTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-13(19)17-15(3,4)12-8-10-16(5,11-9-12)18-14(20)7-2/h12H,6-11H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide?
N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide has a molecular weight of 282.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-[2-(propanoylamino)propan-2-yl]cyclohexyl]propanamide is sourced from PubChem (CID 547251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).