N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide

C15H19N3O — CID 63955371

IUPACN-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C#N)CC1CC1
InChIInChI=1S/C15H19N3O/c1-2-18(10-12-7-8-12)11-15(19)17-14-6-4-3-5-13(14)9-16/h3-6,12H,2,7-8,10-11H2,1H3,(H,17,19)
InChIKeyTWSOSRCKWPMSOR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.23
Rot. Bonds6

About N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide

N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide (PubChem CID 63955371) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
PubChem CID63955371
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C#N)CC1CC1
InChIInChI=1S/C15H19N3O/c1-2-18(10-12-7-8-12)11-15(19)17-14-6-4-3-5-13(14)9-16/h3-6,12H,2,7-8,10-11H2,1H3,(H,17,19)
InChIKeyTWSOSRCKWPMSOR-UHFFFAOYSA-N
XLogP2.23
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide
CID 79664547
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43264184
N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide
CID 60733325
N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689300
2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 86946248
1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149507
N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide
CID 64522146
3-[[2-(2-cyanoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62826763

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide (CID 63955371) is N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide is CCN(CC(=O)Nc1ccccc1C#N)CC1CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The InChIKey is TWSOSRCKWPMSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18(10-12-7-8-12)11-15(19)17-14-6-4-3-5-13(14)9-16/h3-6,12H,2,7-8,10-11H2,1H3,(H,17,19).
What are the key properties of N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide is sourced from PubChem (CID 63955371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).