(4-ethoxyphenyl)-methylcyanamide

C10H12N2O — CID 117029387

IUPAC(4-ethoxyphenyl)-methylcyanamide
SMILESCCOc1ccc(N(C)C#N)cc1
InChIInChI=1S/C10H12N2O/c1-3-13-10-6-4-9(5-7-10)12(2)8-11/h4-7H,3H2,1-2H3
InChIKeyTWHFTPLLWQNGFG-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.00
Rot. Bonds3

About (4-ethoxyphenyl)-methylcyanamide

(4-ethoxyphenyl)-methylcyanamide (PubChem CID 117029387) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (4-ethoxyphenyl)-methylcyanamide.

Molecular Properties

Compound Name(4-ethoxyphenyl)-methylcyanamide
PubChem CID117029387
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(4-ethoxyphenyl)-methylcyanamide
SMILESCCOc1ccc(N(C)C#N)cc1
InChIInChI=1S/C10H12N2O/c1-3-13-10-6-4-9(5-7-10)12(2)8-11/h4-7H,3H2,1-2H3
InChIKeyTWHFTPLLWQNGFG-UHFFFAOYSA-N
XLogP2.00
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze (4-ethoxyphenyl)-methylcyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N,N-dimethylaniline
CID 3624890
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
3-[(4-ethoxyphenyl)methyl-methylamino]-2,2-dimethylpropanenitrile
CID 115234114
4-(4-ethoxy-N-methylanilino)benzaldehyde
CID 12657169
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate
CID 19832441
1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127036
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
2-bromo-2-(4-ethoxyphenyl)acetonitrile
CID 83086822

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-methylcyanamide?
The IUPAC name of (4-ethoxyphenyl)-methylcyanamide (CID 117029387) is (4-ethoxyphenyl)-methylcyanamide.
What is the SMILES notation for (4-ethoxyphenyl)-methylcyanamide?
The canonical SMILES for (4-ethoxyphenyl)-methylcyanamide is CCOc1ccc(N(C)C#N)cc1.
What is the InChIKey of (4-ethoxyphenyl)-methylcyanamide?
The InChIKey is TWHFTPLLWQNGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-13-10-6-4-9(5-7-10)12(2)8-11/h4-7H,3H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-methylcyanamide?
(4-ethoxyphenyl)-methylcyanamide has a molecular weight of 176.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-methylcyanamide is sourced from PubChem (CID 117029387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).