N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide

C14H25N3O4 — CID 163464416

IUPACN-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide
SMILESCC(=O)N(C(=O)CCC(=O)N(C)C(=O)C(C)(C)C)N(C)C
InChIInChI=1S/C14H25N3O4/c1-10(18)17(15(5)6)12(20)9-8-11(19)16(7)13(21)14(2,3)4/h8-9H2,1-7H3
InChIKeyBRIATPSGIAVTEO-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.65
Rot. Bonds4

About N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide

N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide (PubChem CID 163464416) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide
PubChem CID163464416
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC NameN-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide
SMILESCC(=O)N(C(=O)CCC(=O)N(C)C(=O)C(C)(C)C)N(C)C
InChIInChI=1S/C14H25N3O4/c1-10(18)17(15(5)6)12(20)9-8-11(19)16(7)13(21)14(2,3)4/h8-9H2,1-7H3
InChIKeyBRIATPSGIAVTEO-UHFFFAOYSA-N
XLogP0.65
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide
CID 126481628
N-acetyl-N-methylbutanamide
CID 142271883
N-[2-(diethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 60707989
2-(dimethylamino)-2,6-dimethylhept-6-en-3-one
CID 114473625
N-acetyl-N-methyltetradecanamide
CID 54508567
N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide
CID 58992304
N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide
CID 79019595
2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
N-(iodomethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 130443735
N,N-bis(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 82952265
N-acetyl-N,5-dimethylhexanamide
CID 122207721
3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid
CID 82323749

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide (CID 163464416) is N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide is CC(=O)N(C(=O)CCC(=O)N(C)C(=O)C(C)(C)C)N(C)C.
What is the InChIKey of N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide?
The InChIKey is BRIATPSGIAVTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(18)17(15(5)6)12(20)9-8-11(19)16(7)13(21)14(2,3)4/h8-9H2,1-7H3.
What are the key properties of N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide?
N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide has a molecular weight of 299.37 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 163464416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).