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

C15H26N2O — CID 71040488

IUPAC5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide
SMILESCCCC1=CCC(NC(=O)CCCCNC)C=C1
InChIInChI=1S/C15H26N2O/c1-3-6-13-8-10-14(11-9-13)17-15(18)7-4-5-12-16-2/h8-10,14,16H,3-7,11-12H2,1-2H3,(H,17,18)
InChIKeyZCDWQQCTBWMYTL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.55
Rot. Bonds8

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

5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide (PubChem CID 71040488) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide.

Molecular Properties

Compound Name5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide
PubChem CID71040488
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide
SMILESCCCC1=CCC(NC(=O)CCCCNC)C=C1
InChIInChI=1S/C15H26N2O/c1-3-6-13-8-10-14(11-9-13)17-15(18)7-4-5-12-16-2/h8-10,14,16H,3-7,11-12H2,1-2H3,(H,17,18)
InChIKeyZCDWQQCTBWMYTL-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide?
The IUPAC name of 5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide (CID 71040488) is 5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide.
What is the SMILES notation for 5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide?
The canonical SMILES for 5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide is CCCC1=CCC(NC(=O)CCCCNC)C=C1.
What is the InChIKey of 5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide?
The InChIKey is ZCDWQQCTBWMYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-6-13-8-10-14(11-9-13)17-15(18)7-4-5-12-16-2/h8-10,14,16H,3-7,11-12H2,1-2H3,(H,17,18).
What are the key properties of 5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide?
5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide has a molecular weight of 250.39 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide is sourced from PubChem (CID 71040488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).