N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide

C14H21N3O2 — CID 54992509

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide
SMILESCCN(CC/C(N)=N/O)C(=O)Cc1ccccc1C
InChIInChI=1S/C14H21N3O2/c1-3-17(9-8-13(15)16-19)14(18)10-12-7-5-4-6-11(12)2/h4-7,19H,3,8-10H2,1-2H3,(H2,15,16)
InChIKeyUDWQQKFGEWDVKR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.52
Rot. Bonds6

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide (PubChem CID 54992509) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide
PubChem CID54992509
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide
SMILESCCN(CC/C(N)=N/O)C(=O)Cc1ccccc1C
InChIInChI=1S/C14H21N3O2/c1-3-17(9-8-13(15)16-19)14(18)10-12-7-5-4-6-11(12)2/h4-7,19H,3,8-10H2,1-2H3,(H2,15,16)
InChIKeyUDWQQKFGEWDVKR-UHFFFAOYSA-N
XLogP1.52
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.52
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

2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80740980
N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide
CID 78970730
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 79386743
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894024
ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate
CID 43910778
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80740760
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
CID 104982299
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
CID 60656670
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015086
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
CID 76946924

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide (CID 54992509) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide is CCN(CC/C(N)=N/O)C(=O)Cc1ccccc1C.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide?
The InChIKey is UDWQQKFGEWDVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(9-8-13(15)16-19)14(18)10-12-7-5-4-6-11(12)2/h4-7,19H,3,8-10H2,1-2H3,(H2,15,16).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 54992509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).