N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

About N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 4834275) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

Compound Name	N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
PubChem CID	4834275
Molecular Formula	C24H38N4O4
Molecular Weight	446.59 g/mol
Exact Mass	446.29
IUPAC Name	N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
SMILES	CC(C)CC(NC(=O)N1CC2CC(C1)c1cccc(=O)n1C2)C(=O)NCCCOC(C)C
InChI	InChI=1S/C24H38N4O4/c1-16(2)11-20(23(30)25-9-6-10-32-17(3)4)26-24(31)27-13-18-12-19(15-27)21-7-5-8-22(29)28(21)14-18/h5,7-8,16-20H,6,9-15H2,1-4H3,(H,25,30)(H,26,31)
InChIKey	KPDHGBNDPTXVDC-UHFFFAOYSA-N
XLogP	2.32
TPSA	92.67 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.59
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The IUPAC name of N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 4834275) is N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

What is the SMILES notation for N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The canonical SMILES for N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is CC(C)CC(NC(=O)N1CC2CC(C1)c1cccc(=O)n1C2)C(=O)NCCCOC(C)C.

What is the InChIKey of N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The InChIKey is KPDHGBNDPTXVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4/c1-16(2)11-20(23(30)25-9-6-10-32-17(3)4)26-24(31)27-13-18-12-19(15-27)21-7-5-8-22(29)28(21)14-18/h5,7-8,16-20H,6,9-15H2,1-4H3,(H,25,30)(H,26,31).

What are the key properties of N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)pentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 4834275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).