2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide

C15H19N3O — CID 54936564

IUPAC2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide
SMILESCC(NC(C)c1ccc(C#N)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H19N3O/c1-10(13-5-3-12(9-16)4-6-13)17-11(2)15(19)18-14-7-8-14/h3-6,10-11,14,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyUXDGZMQBDRAHMQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.88
Rot. Bonds5

About 2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide

2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide (PubChem CID 54936564) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide
PubChem CID54936564
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide
SMILESCC(NC(C)c1ccc(C#N)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H19N3O/c1-10(13-5-3-12(9-16)4-6-13)17-11(2)15(19)18-14-7-8-14/h3-6,10-11,14,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyUXDGZMQBDRAHMQ-UHFFFAOYSA-N
XLogP1.88
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
methyl (2S)-2-[1-(4-cyanophenyl)ethylamino]propanoate
CID 43723691
2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 60919147
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide
CID 113407706
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 51936691
(2S)-2-(benzhydrylamino)-N-cyclopropylpropanamide
CID 7614348
[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
CID 648812

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide (CID 54936564) is 2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide is CC(NC(C)c1ccc(C#N)cc1)C(=O)NC1CC1.
What is the InChIKey of 2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide?
The InChIKey is UXDGZMQBDRAHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(13-5-3-12(9-16)4-6-13)17-11(2)15(19)18-14-7-8-14/h3-6,10-11,14,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide?
2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide has a molecular weight of 257.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 54936564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).