N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide

C16H28N2O — CID 71040486

IUPACN-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide
SMILESCCC(C)C1=CCC(NC(=O)CCCCNC)C=C1
InChIInChI=1S/C16H28N2O/c1-4-13(2)14-8-10-15(11-9-14)18-16(19)7-5-6-12-17-3/h8-10,13,15,17H,4-7,11-12H2,1-3H3,(H,18,19)
InChIKeyRGRFJADMGUNIKG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.79
Rot. Bonds8

About N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide

N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide (PubChem CID 71040486) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide.

Molecular Properties

Compound NameN-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide
PubChem CID71040486
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide
SMILESCCC(C)C1=CCC(NC(=O)CCCCNC)C=C1
InChIInChI=1S/C16H28N2O/c1-4-13(2)14-8-10-15(11-9-14)18-16(19)7-5-6-12-17-3/h8-10,13,15,17H,4-7,11-12H2,1-3H3,(H,18,19)
InChIKeyRGRFJADMGUNIKG-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide 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-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide?
The IUPAC name of N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide (CID 71040486) is N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide.
What is the SMILES notation for N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide?
The canonical SMILES for N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide is CCC(C)C1=CCC(NC(=O)CCCCNC)C=C1.
What is the InChIKey of N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide?
The InChIKey is RGRFJADMGUNIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-13(2)14-8-10-15(11-9-14)18-16(19)7-5-6-12-17-3/h8-10,13,15,17H,4-7,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide?
N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide has a molecular weight of 264.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide is sourced from PubChem (CID 71040486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).