N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide

C15H23N3O3 — CID 76948308

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(CCC(N)=NO)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-2-11-21-12-9-15(19)18(10-8-14(16)17-20)13-6-4-3-5-7-13/h3-7,20H,2,8-12H2,1H3,(H2,16,17)
InChIKeyOWICOXZWEANFQN-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.97
Rot. Bonds9

About N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide

N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide (PubChem CID 76948308) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide
PubChem CID76948308
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(CCC(N)=NO)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-2-11-21-12-9-15(19)18(10-8-14(16)17-20)13-6-4-3-5-7-13/h3-7,20H,2,8-12H2,1H3,(H2,16,17)
InChIKeyOWICOXZWEANFQN-UHFFFAOYSA-N
XLogP1.97
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide
CID 76953544
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
CID 62688407
4-[2-hydroxyethyl(3-propoxypropanoyl)amino]benzoic acid
CID 62715793
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-phenylpropanamide
CID 62590595
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide
CID 107974128
N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide
CID 24710523
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
CID 76946924
methyl N-[[(3Z)-3-amino-3-hydroxyiminopropyl]-phenylsulfamoyl]carbamate
CID 114465885
3-bromo-N-phenyl-N-propylpropanamide
CID 118001559
3-(N-octanoylanilino)propanoic acid
CID 60831115
ethyl 3-(N-(3-ethoxy-3-oxopropyl)anilino)-3-oxopropanoate
CID 146459338

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide (CID 76948308) is N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide is CCCOCCC(=O)N(CCC(N)=NO)c1ccccc1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide?
The InChIKey is OWICOXZWEANFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-11-21-12-9-15(19)18(10-8-14(16)17-20)13-6-4-3-5-7-13/h3-7,20H,2,8-12H2,1H3,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide?
N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide has a molecular weight of 293.37 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide is sourced from PubChem (CID 76948308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).