3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide

C16H25N3O2 — CID 76975541

IUPAC3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide
SMILESCC(C)CC(C)N(C)C(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-11(2)10-12(3)19(4)16(20)14(15(17)18-21)13-8-6-5-7-9-13/h5-9,11-12,14,21H,10H2,1-4H3,(H2,17,18)
InChIKeyHFCGERDPXBWASU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.41
Rot. Bonds6

About 3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide

3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide (PubChem CID 76975541) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide
PubChem CID76975541
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide
SMILESCC(C)CC(C)N(C)C(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-11(2)10-12(3)19(4)16(20)14(15(17)18-21)13-8-6-5-7-9-13/h5-9,11-12,14,21H,10H2,1-4H3,(H2,17,18)
InChIKeyHFCGERDPXBWASU-UHFFFAOYSA-N
XLogP2.41
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
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'}

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Related Compounds

(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide
CID 55128922
3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide
CID 76975517
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide
CID 76975466
3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
CID 76975528
3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide
CID 76975359
(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide
CID 78985610
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
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide
CID 76975498
(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
CID 106330934
3-amino-N-methyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877738
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide (CID 76975541) is 3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide is CC(C)CC(C)N(C)C(=O)C(C(N)=NO)c1ccccc1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide?
The InChIKey is HFCGERDPXBWASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)10-12(3)19(4)16(20)14(15(17)18-21)13-8-6-5-7-9-13/h5-9,11-12,14,21H,10H2,1-4H3,(H2,17,18).
What are the key properties of 3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide?
3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 76975541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).