4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide

C19H33N3O2 — CID 71040381

IUPAC4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCNCCCCC(=O)NC1=CCC(C(=O)N(C(C)C)C(C)C)C=C1
InChIInChI=1S/C19H33N3O2/c1-14(2)22(15(3)4)19(24)16-9-11-17(12-10-16)21-18(23)8-6-7-13-20-5/h9,11-12,14-16,20H,6-8,10,13H2,1-5H3,(H,21,23)
InChIKeyIJQCYNXDEJFLAM-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.60
Rot. Bonds9

About 4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide

4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 71040381) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID71040381
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCNCCCCC(=O)NC1=CCC(C(=O)N(C(C)C)C(C)C)C=C1
InChIInChI=1S/C19H33N3O2/c1-14(2)22(15(3)4)19(24)16-9-11-17(12-10-16)21-18(23)8-6-7-13-20-5/h9,11-12,14-16,20H,6-8,10,13H2,1-5H3,(H,21,23)
InChIKeyIJQCYNXDEJFLAM-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide with MolForge

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Related Compounds

4-(formamidomethyl)-N-[1-[[(2E,4Z)-7,7,8-trifluoro-6-methylocta-2,4-dien-3-yl]amino]pentan-3-yl]hex-5-enamide
CID 143532078
N-butan-2-yl-3-[1-[(4E,6E)-7-(1,1-difluoroethyl)-3,8-dimethylnona-4,6,8-trien-4-yl]-4-methyl-2,5-dioxopyrrol-3-yl]propanamide
CID 167083095
3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide
CID 70254064
1-(4-Amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one
CID 70892500
5-amino-N-[(Z)-4-[(5R)-3,5-dimethylpiperidin-1-yl]hept-2-enyl]pentanamide
CID 70974414
5-(5-aminopentanoylamino)-N-cyclohexylcyclohexa-2,4-diene-1-carboxamide
CID 70974470
5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide
CID 71040362
(6S)-6-methyl-5-[5-(methylamino)pentanoylamino]-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide
CID 71040474
N-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide
CID 71040486
5-(methylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide
CID 71040488
5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 71080629
N-[1-[[(4E)-2,5-dimethyl-6-(pentan-3-ylamino)hepta-4,6-dien-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 88892491

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide (CID 71040381) is 4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide is CNCCCCC(=O)NC1=CCC(C(=O)N(C(C)C)C(C)C)C=C1.
What is the InChIKey of 4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is IJQCYNXDEJFLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-14(2)22(15(3)4)19(24)16-9-11-17(12-10-16)21-18(23)8-6-7-13-20-5/h9,11-12,14-16,20H,6-8,10,13H2,1-5H3,(H,21,23).
What are the key properties of 4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 71040381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).