N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide

C15H16N2O — CID 76870677

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
SMILESN#CCCN(C(=O)C=Cc1ccccc1)C1CC1
InChIInChI=1S/C15H16N2O/c16-11-4-12-17(14-8-9-14)15(18)10-7-13-5-2-1-3-6-13/h1-3,5-7,10,14H,4,8-9,12H2
InChIKeyMEPFBSZLVOYNDH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.60
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide

N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide (PubChem CID 76870677) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
PubChem CID76870677
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
SMILESN#CCCN(C(=O)C=Cc1ccccc1)C1CC1
InChIInChI=1S/C15H16N2O/c16-11-4-12-17(14-8-9-14)15(18)10-7-13-5-2-1-3-6-13/h1-3,5-7,10,14H,4,8-9,12H2
InChIKeyMEPFBSZLVOYNDH-UHFFFAOYSA-N
XLogP2.60
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 60587560
N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide
CID 79116877
3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide
CID 77002821
(E)-3-(3-cyanophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)prop-2-enamide
CID 102684445
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
(E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide
CID 60799814
2-[2-[2-cyanoethyl(cyclopropyl)amino]-2-oxoethyl]benzoic acid
CID 104601447
(E)-N-cyano-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273963
N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide
CID 96664778
(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43577305
(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
CID 43577307
3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide
CID 54916242

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide (CID 76870677) is N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide is N#CCCN(C(=O)C=Cc1ccccc1)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide?
The InChIKey is MEPFBSZLVOYNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-11-4-12-17(14-8-9-14)15(18)10-7-13-5-2-1-3-6-13/h1-3,5-7,10,14H,4,8-9,12H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide has a molecular weight of 240.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide is sourced from PubChem (CID 76870677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).