N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide

C14H21N3O2 — CID 76947804

IUPACN-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide
SMILESCCC(CC(N)=NO)NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H21N3O2/c1-3-12(9-13(15)17-19)16-14(18)8-11-6-4-5-10(2)7-11/h4-7,12,19H,3,8-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyNQISXYLAXJTXPP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds6

About N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide

N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide (PubChem CID 76947804) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide
PubChem CID76947804
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide
SMILESCCC(CC(N)=NO)NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H21N3O2/c1-3-12(9-13(15)17-19)16-14(18)8-11-6-4-5-10(2)7-11/h4-7,12,19H,3,8-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyNQISXYLAXJTXPP-UHFFFAOYSA-N
XLogP1.57
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide 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-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide
CID 77038382
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-chlorophenoxy)acetamide
CID 76947849
(2R)-4-amino-2-[[2-(3-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 114004738
4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 67362285
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158
3-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177
N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
CID 63754828
(2S,3S)-3-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoic acid
CID 55067991
N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114300302
N'-hydroxy-3-[methyl-[(3-methylphenyl)methyl]amino]butanimidamide
CID 61413856
N-(1-amino-1-hydroxyiminopentan-3-yl)-3,4-difluorobenzamide
CID 76947874
N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 106152342

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide (CID 76947804) is N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide is CCC(CC(N)=NO)NC(=O)Cc1cccc(C)c1.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide?
The InChIKey is NQISXYLAXJTXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-12(9-13(15)17-19)16-14(18)8-11-6-4-5-10(2)7-11/h4-7,12,19H,3,8-9H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide?
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 76947804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).