3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide

C14H19N3O3 — CID 76975498

IUPAC3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide
SMILESNC(=NO)C(C(=O)N(CCO)C1CC1)c1ccccc1
InChIInChI=1S/C14H19N3O3/c15-13(16-20)12(10-4-2-1-3-5-10)14(19)17(8-9-18)11-6-7-11/h1-5,11-12,18,20H,6-9H2,(H2,15,16)
InChIKeyCVGSSTGRAXZXFP-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.50
Rot. Bonds6

About 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide

3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide (PubChem CID 76975498) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide
PubChem CID76975498
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide
SMILESNC(=NO)C(C(=O)N(CCO)C1CC1)c1ccccc1
InChIInChI=1S/C14H19N3O3/c15-13(16-20)12(10-4-2-1-3-5-10)14(19)17(8-9-18)11-6-7-11/h1-5,11-12,18,20H,6-9H2,(H2,15,16)
InChIKeyCVGSSTGRAXZXFP-UHFFFAOYSA-N
XLogP0.50
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.50
H-Bond Donors ≤ 53
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-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide
CID 55128739
3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
CID 76975528
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62878440
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878882
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 43578971
3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043799
3-amino-N-butyl-N-cyclopropyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876538
(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide
CID 55128922
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-phenylacetamide
CID 60953001
3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide
CID 76975359
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide
CID 76975466
3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide
CID 76975517

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide (CID 76975498) is 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide is NC(=NO)C(C(=O)N(CCO)C1CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide?
The InChIKey is CVGSSTGRAXZXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-13(16-20)12(10-4-2-1-3-5-10)14(19)17(8-9-18)11-6-7-11/h1-5,11-12,18,20H,6-9H2,(H2,15,16).
What are the key properties of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide?
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide has a molecular weight of 277.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide is sourced from PubChem (CID 76975498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).