3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide

C14H21N3O3 — CID 76975517

IUPAC3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide
SMILESCOCC(C)N(C)C(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-10(9-20-3)17(2)14(18)12(13(15)16-19)11-7-5-4-6-8-11/h4-8,10,12,19H,9H2,1-3H3,(H2,15,16)
InChIKeyMMAVULKOUKHCBE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.01
Rot. Bonds6

About 3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide

3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide (PubChem CID 76975517) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide
PubChem CID76975517
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide
SMILESCOCC(C)N(C)C(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-10(9-20-3)17(2)14(18)12(13(15)16-19)11-7-5-4-6-8-11/h4-8,10,12,19H,9H2,1-3H3,(H2,15,16)
InChIKeyMMAVULKOUKHCBE-UHFFFAOYSA-N
XLogP1.01
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.01
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

3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide
CID 76975541
(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide
CID 55128922
2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide
CID 76926122
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide
CID 76975466
3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide
CID 76975359
3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
CID 76975528
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide
CID 76975498
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
CID 55128874
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
CID 106330934

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide (CID 76975517) is 3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide is COCC(C)N(C)C(=O)C(C(N)=NO)c1ccccc1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide?
The InChIKey is MMAVULKOUKHCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(9-20-3)17(2)14(18)12(13(15)16-19)11-7-5-4-6-8-11/h4-8,10,12,19H,9H2,1-3H3,(H2,15,16).
What are the key properties of 3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide?
3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 76975517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).