3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide

C15H23N3O3 — CID 76924969

IUPAC3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide
SMILESCCN(CCOC)C(=O)C(Cc1ccccc1)C(N)=NO
InChIInChI=1S/C15H23N3O3/c1-3-18(9-10-21-2)15(19)13(14(16)17-20)11-12-7-5-4-6-8-12/h4-8,13,20H,3,9-11H2,1-2H3,(H2,16,17)
InChIKeyRXGZQJIBLOBIFW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.09
Rot. Bonds8

About 3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide

3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide (PubChem CID 76924969) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide
PubChem CID76924969
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide
SMILESCCN(CCOC)C(=O)C(Cc1ccccc1)C(N)=NO
InChIInChI=1S/C15H23N3O3/c1-3-18(9-10-21-2)15(19)13(14(16)17-20)11-12-7-5-4-6-8-12/h4-8,13,20H,3,9-11H2,1-2H3,(H2,16,17)
InChIKeyRXGZQJIBLOBIFW-UHFFFAOYSA-N
XLogP1.09
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.09
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-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide
CID 76925880
3-amino-2-benzyl-N-butan-2-yl-N-ethyl-3-hydroxyiminopropanamide
CID 76926379
3-amino-N-(2-amino-2-oxoethyl)-2-benzyl-3-hydroxyimino-N-methylpropanamide
CID 76926817
(2R)-2-amino-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949185
2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980750
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 104861606
(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
CID 61163372
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide (CID 76924969) is 3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide is CCN(CCOC)C(=O)C(Cc1ccccc1)C(N)=NO.
What is the InChIKey of 3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
The InChIKey is RXGZQJIBLOBIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-18(9-10-21-2)15(19)13(14(16)17-20)11-12-7-5-4-6-8-12/h4-8,13,20H,3,9-11H2,1-2H3,(H2,16,17).
What are the key properties of 3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 76924969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).