N-[amino-(3-ethylphenyl)methylidene]acetamide

C11H14N2O — CID 91027173

IUPACN-[amino-(3-ethylphenyl)methylidene]acetamide
SMILESCCc1cccc(/C(N)=N/C(C)=O)c1
InChIInChI=1S/C11H14N2O/c1-3-9-5-4-6-10(7-9)11(12)13-8(2)14/h4-7H,3H2,1-2H3,(H2,12,13,14)
InChIKeyUOEMVNNGZQXXNE-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.50
Rot. Bonds2

About N-[amino-(3-ethylphenyl)methylidene]acetamide

N-[amino-(3-ethylphenyl)methylidene]acetamide (PubChem CID 91027173) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[amino-(3-ethylphenyl)methylidene]acetamide.

Molecular Properties

Compound NameN-[amino-(3-ethylphenyl)methylidene]acetamide
PubChem CID91027173
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[amino-(3-ethylphenyl)methylidene]acetamide
SMILESCCc1cccc(/C(N)=N/C(C)=O)c1
InChIInChI=1S/C11H14N2O/c1-3-9-5-4-6-10(7-9)11(12)13-8(2)14/h4-7H,3H2,1-2H3,(H2,12,13,14)
InChIKeyUOEMVNNGZQXXNE-UHFFFAOYSA-N
XLogP1.50
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

chloro 3-ethylbenzoate
CID 142246460
3-ethylbenzoic acid;propane
CID 177324794
3-amino-1-(3-ethylphenyl)-2-methylbutan-1-one
CID 116612270
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
CID 22968888
2-amino-1-(3-ethylphenyl)propan-1-one
CID 57124216
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
3-ethyl-N-methylbenzamide
CID 59115297
sulfanyl 3-ethylbenzoate
CID 89208053
(3,5-dichlorophenyl)-(3-ethylphenyl)methanone
CID 115788788
(4-aminophenyl)-(3-ethylphenyl)methanone
CID 116548793
2-(N-[3-(N'-acetylcarbamimidoyl)benzoyl]anilino)acetic acid
CID 67097918

Frequently Asked Questions

What is the IUPAC name of N-[amino-(3-ethylphenyl)methylidene]acetamide?
The IUPAC name of N-[amino-(3-ethylphenyl)methylidene]acetamide (CID 91027173) is N-[amino-(3-ethylphenyl)methylidene]acetamide.
What is the SMILES notation for N-[amino-(3-ethylphenyl)methylidene]acetamide?
The canonical SMILES for N-[amino-(3-ethylphenyl)methylidene]acetamide is CCc1cccc(/C(N)=N/C(C)=O)c1.
What is the InChIKey of N-[amino-(3-ethylphenyl)methylidene]acetamide?
The InChIKey is UOEMVNNGZQXXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-9-5-4-6-10(7-9)11(12)13-8(2)14/h4-7H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of N-[amino-(3-ethylphenyl)methylidene]acetamide?
N-[amino-(3-ethylphenyl)methylidene]acetamide has a molecular weight of 190.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(3-ethylphenyl)methylidene]acetamide is sourced from PubChem (CID 91027173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).