N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide

C15H20N4O4 — CID 137415409

IUPACN-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide
SMILESCC(=O)N/C(C)=N/C(=O)c1ccc(NC(=O)C(C)(N)CO)cc1
InChIInChI=1S/C15H20N4O4/c1-9(17-10(2)21)18-13(22)11-4-6-12(7-5-11)19-14(23)15(3,16)8-20/h4-7,20H,8,16H2,1-3H3,(H,19,23)(H,17,18,21,22)
InChIKeyFSDFAZQVCXAHRQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.03
Rot. Bonds4

About N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide

N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide (PubChem CID 137415409) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide.

Molecular Properties

Compound NameN-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide
PubChem CID137415409
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC NameN-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide
SMILESCC(=O)N/C(C)=N/C(=O)c1ccc(NC(=O)C(C)(N)CO)cc1
InChIInChI=1S/C15H20N4O4/c1-9(17-10(2)21)18-13(22)11-4-6-12(7-5-11)19-14(23)15(3,16)8-20/h4-7,20H,8,16H2,1-3H3,(H,19,23)(H,17,18,21,22)
InChIKeyFSDFAZQVCXAHRQ-UHFFFAOYSA-N
XLogP0.03
TPSA133.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 143188431
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
2-amino-3-hydroxy-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 69268031
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide
CID 11682809
(2S)-2-amino-N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 11610457
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
CID 11639348
N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide
CID 65269737
4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 79792462
N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
CID 79797274
2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 73021177
2-amino-3-hydroxy-2-methyl-N-(3-methyl-4-octoxyphenyl)propanamide
CID 69265813
2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 69266314

Frequently Asked Questions

What is the IUPAC name of N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide?
The IUPAC name of N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide (CID 137415409) is N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide.
What is the SMILES notation for N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide?
The canonical SMILES for N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide is CC(=O)N/C(C)=N/C(=O)c1ccc(NC(=O)C(C)(N)CO)cc1.
What is the InChIKey of N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide?
The InChIKey is FSDFAZQVCXAHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-9(17-10(2)21)18-13(22)11-4-6-12(7-5-11)19-14(23)15(3,16)8-20/h4-7,20H,8,16H2,1-3H3,(H,19,23)(H,17,18,21,22).
What are the key properties of N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide?
N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide has a molecular weight of 320.35 g/mol, XLogP of 0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide is sourced from PubChem (CID 137415409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).