N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide

C12H18N4O2 — CID 55102085

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCC/C(N)=N/O)c1
InChIInChI=1S/C12H18N4O2/c1-16(2)10-5-3-4-9(8-10)12(17)14-7-6-11(13)15-18/h3-5,8,18H,6-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyXDPYNUMIZYWWPO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.62
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide (PubChem CID 55102085) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
PubChem CID55102085
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCC/C(N)=N/O)c1
InChIInChI=1S/C12H18N4O2/c1-16(2)10-5-3-4-9(8-10)12(17)14-7-6-11(13)15-18/h3-5,8,18H,6-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyXDPYNUMIZYWWPO-UHFFFAOYSA-N
XLogP0.62
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide 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-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide
CID 76952651
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 27607144
3-(dimethylamino)-N-pent-3-ynylbenzamide
CID 115977332
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide
CID 76987732
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 47182779
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
CID 90500669
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide (CID 55102085) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NCC/C(N)=N/O)c1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide?
The InChIKey is XDPYNUMIZYWWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16(2)10-5-3-4-9(8-10)12(17)14-7-6-11(13)15-18/h3-5,8,18H,6-7H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 55102085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).