2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide

C15H21N3O — CID 54988244

IUPAC2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide
SMILESCCN(CC(C)C#N)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O/c1-4-18(11-12(2)10-16)13(3)15(19)17-14-8-6-5-7-9-14/h5-9,12-13H,4,11H2,1-3H3,(H,17,19)
InChIKeyGEBIFRRCJCNWJD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.50
Rot. Bonds6

About 2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide

2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide (PubChem CID 54988244) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide
PubChem CID54988244
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide
SMILESCCN(CC(C)C#N)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O/c1-4-18(11-12(2)10-16)13(3)15(19)17-14-8-6-5-7-9-14/h5-9,12-13H,4,11H2,1-3H3,(H,17,19)
InChIKeyGEBIFRRCJCNWJD-UHFFFAOYSA-N
XLogP2.50
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 63224513
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
CID 82326694
2-(diethylamino)-N-(4-methylphenyl)propanamide
CID 24843836
N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 54992578
4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide
CID 51967572
3-[ethyl(3-oxopentan-2-yl)amino]-2-methylpropanenitrile
CID 64867770
2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide
CID 107494405
ethyl 3-anilino-2-cyano-3-oxopropanoate
CID 15707517
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
4-[[[(2S)-2-cyanopropyl]-ethylcarbamoyl]amino]benzamide
CID 94205574

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide?
The IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide (CID 54988244) is 2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide?
The canonical SMILES for 2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide is CCN(CC(C)C#N)C(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide?
The InChIKey is GEBIFRRCJCNWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18(11-12(2)10-16)13(3)15(19)17-14-8-6-5-7-9-14/h5-9,12-13H,4,11H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide?
2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 54988244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).