N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide

C12H17N3O4 — CID 23148382

IUPACN-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NO
InChIInChI=1S/C12H17N3O4/c1-8(2)13-11(12(16)14-17)7-9-3-5-10(6-4-9)15(18)19/h3-6,8,11,13,17H,7H2,1-2H3,(H,14,16)
InChIKeySVWIAZBWNPTZKR-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.01
Rot. Bonds6

About N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide

N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide (PubChem CID 23148382) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide
PubChem CID23148382
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC NameN-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NO
InChIInChI=1S/C12H17N3O4/c1-8(2)13-11(12(16)14-17)7-9-3-5-10(6-4-9)15(18)19/h3-6,8,11,13,17H,7H2,1-2H3,(H,14,16)
InChIKeySVWIAZBWNPTZKR-UHFFFAOYSA-N
XLogP1.01
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide 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

(2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide
CID 87750218
1-(4-nitrophenyl)-N-propan-2-ylpropan-2-amine;hydrobromide
CID 171150478
2-(hydroxyamino)-3-(4-nitrophenyl)propanoic acid
CID 87126063
methane;methyl (2S)-2-methyl-3-(4-nitrophenyl)propanoate
CID 158629845
(2R)-2-amino-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide
CID 129361681
methyl (2S)-2-[[(2R)-2-amino-3-(4-nitrophenyl)propanoyl]amino]-3-(4-nitrophenyl)propanoate
CID 131733471
methyl (2R)-2-(methylamino)-3-(4-nitrophenyl)propanoate
CID 134856926
methyl (2S,4R)-4-amino-2-methyl-5-(4-nitrophenyl)pentanoate
CID 118442920
(2S)-2-(dimethylamino)-4-methyl-N-[1-(4-nitrophenyl)-3-oxobutan-2-yl]pentanamide
CID 54126929
2-[[3-amino-2-hydroxy-4-(4-nitrophenyl)butanoyl]amino]-4-methylpentanoic acid
CID 1270
(2R)-2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-3-(4-nitrophenyl)propanoic acid
CID 69018193
ethane;methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate
CID 142012617

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide (CID 23148382) is N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide is CC(C)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NO.
What is the InChIKey of N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide?
The InChIKey is SVWIAZBWNPTZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(2)13-11(12(16)14-17)7-9-3-5-10(6-4-9)15(18)19/h3-6,8,11,13,17H,7H2,1-2H3,(H,14,16).
What are the key properties of N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide?
N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide has a molecular weight of 267.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 23148382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).