N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide

C17H24N2O5 — CID 118272081

IUPACN-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)C(O)C(=O)NCCC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O5/c1-17(2,11-20)14(22)16(24)18-9-8-13(21)15(23)19-10-12-6-4-3-5-7-12/h3-7,14,20,22H,8-11H2,1-2H3,(H,18,24)(H,19,23)
InChIKeyZBYFPSMTFHUIDV-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.24
Rot. Bonds9

About N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide

N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 118272081) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID118272081
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC NameN-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)C(O)C(=O)NCCC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O5/c1-17(2,11-20)14(22)16(24)18-9-8-13(21)15(23)19-10-12-6-4-3-5-7-12/h3-7,14,20,22H,8-11H2,1-2H3,(H,18,24)(H,19,23)
InChIKeyZBYFPSMTFHUIDV-UHFFFAOYSA-N
XLogP-0.24
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide 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-[4-[(4-fluorophenyl)methylamino]-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 118353377
(2R)-N-[3-(benzylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 25172418
2,4-dihydroxy-N-[4-[[4-[2-(methanesulfonamido)ethoxy]phenyl]methylamino]-3,4-dioxobutyl]-3,3-dimethylbutanamide
CID 123600266
(2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide
CID 3048066
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide
CID 155543448
4-[[(2R)-1,4-dihydroxy-2,3,3-trimethylbutyl]amino]-2-oxo-N-[[4-(phenylcarbamoylamino)phenyl]methyl]butanamide
CID 144594671
4-[[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 7335953
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
CID 6997253
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
CID 174763260
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydrochloride
CID 155803311

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide (CID 118272081) is N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide is CC(C)(CO)C(O)C(=O)NCCC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is ZBYFPSMTFHUIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-17(2,11-20)14(22)16(24)18-9-8-13(21)15(23)19-10-12-6-4-3-5-7-12/h3-7,14,20,22H,8-11H2,1-2H3,(H,18,24)(H,19,23).
What are the key properties of N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 336.39 g/mol, XLogP of -0.24, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 118272081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).