N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide

C15H19N3O — CID 115905342

IUPACN-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1cccc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-11(14-4-2-3-12(9-14)10-16)17-7-8-18-15(19)13-5-6-13/h2-4,9,11,13,17H,5-8H2,1H3,(H,18,19)
InChIKeyIRNARRWNGXRSIH-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.74
Rot. Bonds6

About N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115905342) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide
PubChem CID115905342
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1cccc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-11(14-4-2-3-12(9-14)10-16)17-7-8-18-15(19)13-5-6-13/h2-4,9,11,13,17H,5-8H2,1H3,(H,18,19)
InChIKeyIRNARRWNGXRSIH-UHFFFAOYSA-N
XLogP1.74
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-cyanophenyl)ethylamino]ethylurea
CID 83110158
N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113246946
3-[2-[1-(3-cyanophenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116828
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371
N-[2-[1-(3-nitrophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115574213
3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile
CID 54931681
N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115621333
3-[1-(cyclobutylmethylamino)ethyl]benzonitrile
CID 43775260
N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113259819
3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059
3-[1-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]benzonitrile
CID 115900500
3-[1-(cyclohexylmethylamino)ethyl]benzonitrile
CID 43775658

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide (CID 115905342) is N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide is CC(NCCNC(=O)C1CC1)c1cccc(C#N)c1.
What is the InChIKey of N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is IRNARRWNGXRSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(14-4-2-3-12(9-14)10-16)17-7-8-18-15(19)13-5-6-13/h2-4,9,11,13,17H,5-8H2,1H3,(H,18,19).
What are the key properties of N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115905342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).