N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide

C23H28N2O3 — CID 56572588

IUPACN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide
SMILESCCOc1ccc(N(CCC#N)C(=O)CCOc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-4-27-21-12-8-20(9-13-21)25(16-5-15-24)23(26)14-17-28-22-10-6-19(7-11-22)18(2)3/h6-13,18H,4-5,14,16-17H2,1-3H3
InChIKeyGZCSNHNFHZGKGO-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.92
Rot. Bonds10

About N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide (PubChem CID 56572588) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide
PubChem CID56572588
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide
SMILESCCOc1ccc(N(CCC#N)C(=O)CCOc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-4-27-21-12-8-20(9-13-21)25(16-5-15-24)23(26)14-17-28-22-10-6-19(7-11-22)18(2)3/h6-13,18H,4-5,14,16-17H2,1-3H3
InChIKeyGZCSNHNFHZGKGO-UHFFFAOYSA-N
XLogP4.92
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598139
N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide
CID 56534475
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 56534162
N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide
CID 56569940
N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide
CID 116820440
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
CID 55446331
N-(2-cyanoethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 78761794
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 4-(3-bromophenoxy)butanoate
CID 42967362
N-(2-cyanoethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 56534390
2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 38508585
N-(2-cyanoethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethoxyphenyl)propanamide
CID 56534575
4,5-dibromo-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 55488066

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide (CID 56572588) is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide is CCOc1ccc(N(CCC#N)C(=O)CCOc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is GZCSNHNFHZGKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-27-21-12-8-20(9-13-21)25(16-5-15-24)23(26)14-17-28-22-10-6-19(7-11-22)18(2)3/h6-13,18H,4-5,14,16-17H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide?
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 380.49 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 56572588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).