N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

C16H33N3O2 — CID 119659545

IUPACN-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H33N3O2/c1-12(2)13(17)9-11-19(6)14(20)8-7-10-18-15(21)16(3,4)5/h12-13H,7-11,17H2,1-6H3,(H,18,21)
InChIKeyMFGFKUQOUXEOOV-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.76
Rot. Bonds8

About N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 119659545) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID119659545
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H33N3O2/c1-12(2)13(17)9-11-19(6)14(20)8-7-10-18-15(21)16(3,4)5/h12-13H,7-11,17H2,1-6H3,(H,18,21)
InChIKeyMFGFKUQOUXEOOV-UHFFFAOYSA-N
XLogP1.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 119659545) is N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)C(N)CCN(C)C(=O)CCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is MFGFKUQOUXEOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-12(2)13(17)9-11-19(6)14(20)8-7-10-18-15(21)16(3,4)5/h12-13H,7-11,17H2,1-6H3,(H,18,21).
What are the key properties of N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 299.46 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 119659545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).