N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide

C14H18N2O — CID 87927480

IUPACN-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide
SMILESCCN(C#N)C(=O)C(C)(C)Cc1ccccc1
InChIInChI=1S/C14H18N2O/c1-4-16(11-15)13(17)14(2,3)10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3
InChIKeySMSNFRUUKJSUFC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.58
Rot. Bonds4

About N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide

N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide (PubChem CID 87927480) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide
PubChem CID87927480
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide
SMILESCCN(C#N)C(=O)C(C)(C)Cc1ccccc1
InChIInChI=1S/C14H18N2O/c1-4-16(11-15)13(17)14(2,3)10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3
InChIKeySMSNFRUUKJSUFC-UHFFFAOYSA-N
XLogP2.58
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide?
The IUPAC name of N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide (CID 87927480) is N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide is CCN(C#N)C(=O)C(C)(C)Cc1ccccc1.
What is the InChIKey of N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide?
The InChIKey is SMSNFRUUKJSUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-16(11-15)13(17)14(2,3)10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3.
What are the key properties of N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide?
N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 87927480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).