N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide

C16H28N2O2 — CID 658528

IUPACN-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1CC(C(C)(C)NC(=O)CC)CC=C1C
InChIInChI=1S/C16H28N2O2/c1-6-14(19)17-13-10-12(9-8-11(13)3)16(4,5)18-15(20)7-2/h8,12-13H,6-7,9-10H2,1-5H3,(H,17,19)(H,18,20)/t12?,13-/m1/s1
InChIKeyMHAFDPMWMXGCQH-ZGTCLIOFSA-N
MW280.41 g/mol
LogP2.54
Rot. Bonds5

About N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide

N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide (PubChem CID 658528) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide
PubChem CID658528
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1CC(C(C)(C)NC(=O)CC)CC=C1C
InChIInChI=1S/C16H28N2O2/c1-6-14(19)17-13-10-12(9-8-11(13)3)16(4,5)18-15(20)7-2/h8,12-13H,6-7,9-10H2,1-5H3,(H,17,19)(H,18,20)/t12?,13-/m1/s1
InChIKeyMHAFDPMWMXGCQH-ZGTCLIOFSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide?
The IUPAC name of N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide (CID 658528) is N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide.
What is the SMILES notation for N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide?
The canonical SMILES for N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide is CCC(=O)N[C@@H]1CC(C(C)(C)NC(=O)CC)CC=C1C.
What is the InChIKey of N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide?
The InChIKey is MHAFDPMWMXGCQH-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-14(19)17-13-10-12(9-8-11(13)3)16(4,5)18-15(20)7-2/h8,12-13H,6-7,9-10H2,1-5H3,(H,17,19)(H,18,20)/t12?,13-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide?
N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide has a molecular weight of 280.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-5-[2-(propanoylamino)propan-2-yl]cyclohex-2-en-1-yl]propanamide is sourced from PubChem (CID 658528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).