N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide

C15H23N3O3 — CID 76935034

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide
SMILESCOC(C(=O)N(CCC(N)=NO)C(C)C)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-11(2)18(10-9-13(16)17-20)15(19)14(21-3)12-7-5-4-6-8-12/h4-8,11,14,20H,9-10H2,1-3H3,(H2,16,17)
InChIKeyNPUBNRQTZAHAKJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.75
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide

N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide (PubChem CID 76935034) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide
PubChem CID76935034
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide
SMILESCOC(C(=O)N(CCC(N)=NO)C(C)C)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-11(2)18(10-9-13(16)17-20)15(19)14(21-3)12-7-5-4-6-8-12/h4-8,11,14,20H,9-10H2,1-3H3,(H2,16,17)
InChIKeyNPUBNRQTZAHAKJ-UHFFFAOYSA-N
XLogP1.75
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide
CID 76935003
N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
CID 76911443
N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide
CID 76934963
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107690844
3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid
CID 60832767
N-(3-amino-3-hydroxyiminopropyl)-4-ethyl-N-propan-2-ylbenzamide
CID 76911411
3-[ethyl(2-phenylpropylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 80690726
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212255
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197
N-(3-aminopropyl)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 62103976
2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562
3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
CID 55038053

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide (CID 76935034) is N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide is COC(C(=O)N(CCC(N)=NO)C(C)C)c1ccccc1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide?
The InChIKey is NPUBNRQTZAHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)18(10-9-13(16)17-20)15(19)14(21-3)12-7-5-4-6-8-12/h4-8,11,14,20H,9-10H2,1-3H3,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide?
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide has a molecular weight of 293.37 g/mol, XLogP of 1.75, 7 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)-2-methoxy-2-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 76935034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).