N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide

C12H17N3O3 — CID 80740980

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESCN(CC/C(N)=N/O)C(=O)Cc1ccccc1O
InChIInChI=1S/C12H17N3O3/c1-15(7-6-11(13)14-18)12(17)8-9-4-2-3-5-10(9)16/h2-5,16,18H,6-8H2,1H3,(H2,13,14)
InChIKeyZFSCXVFHVDTJFA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.53
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide (PubChem CID 80740980) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide
PubChem CID80740980
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESCN(CC/C(N)=N/O)C(=O)Cc1ccccc1O
InChIInChI=1S/C12H17N3O3/c1-15(7-6-11(13)14-18)12(17)8-9-4-2-3-5-10(9)16/h2-5,16,18H,6-8H2,1H3,(H2,13,14)
InChIKeyZFSCXVFHVDTJFA-UHFFFAOYSA-N
XLogP0.53
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.53
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

N-(3-amino-3-sulfanylidenepropyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80741547
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80740760
N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide
CID 54992509
2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 80740739
1-(3-amino-3-hydroxyiminopropyl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 61314437
N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
CID 76911443
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide
CID 77069088
2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-chloro-N-methylbenzamide
CID 6249988
3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 55135540

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide (CID 80740980) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide is CN(CC/C(N)=N/O)C(=O)Cc1ccccc1O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
The InChIKey is ZFSCXVFHVDTJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(7-6-11(13)14-18)12(17)8-9-4-2-3-5-10(9)16/h2-5,16,18H,6-8H2,1H3,(H2,13,14).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide has a molecular weight of 251.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 80740980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).