3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide

C14H20N4O3 — CID 76975466

IUPAC3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide
SMILESCN(C)C(=O)CN(C)C(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H20N4O3/c1-17(2)11(19)9-18(3)14(20)12(13(15)16-21)10-7-5-4-6-8-10/h4-8,12,21H,9H2,1-3H3,(H2,15,16)
InChIKeyURAVUPYZELWIKW-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.06
Rot. Bonds5

About 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide (PubChem CID 76975466) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide
PubChem CID76975466
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide
SMILESCN(C)C(=O)CN(C)C(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H20N4O3/c1-17(2)11(19)9-18(3)14(20)12(13(15)16-21)10-7-5-4-6-8-10/h4-8,12,21H,9H2,1-3H3,(H2,15,16)
InChIKeyURAVUPYZELWIKW-UHFFFAOYSA-N
XLogP0.06
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.06
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

(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide
CID 55128922
3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide
CID 76975541
3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide
CID 76975517
3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide
CID 76975359
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 62877874
3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
CID 76975528
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenoxy-2-phenylacetamide
CID 94818236
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
3-amino-N-(2-amino-2-oxoethyl)-2-benzyl-3-hydroxyimino-N-methylpropanamide
CID 76926817
(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
CID 55128874
3-amino-N-methyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877738

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide (CID 76975466) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide is CN(C)C(=O)CN(C)C(=O)C(C(N)=NO)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide?
The InChIKey is URAVUPYZELWIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17(2)11(19)9-18(3)14(20)12(13(15)16-21)10-7-5-4-6-8-10/h4-8,12,21H,9H2,1-3H3,(H2,15,16).
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide?
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide has a molecular weight of 292.34 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 76975466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).