N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide

C21H31N3O2 — CID 56569940

IUPACN-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(CCC#N)C(=O)CN(C(C)C)C2CCCC2)cc1
InChIInChI=1S/C21H31N3O2/c1-4-26-20-12-10-19(11-13-20)23(15-7-14-22)21(25)16-24(17(2)3)18-8-5-6-9-18/h10-13,17-18H,4-9,15-16H2,1-3H3
InChIKeyKVHBHKXKKPRRSR-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.98
Rot. Bonds9

About N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide

N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 56569940) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide
PubChem CID56569940
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(CCC#N)C(=O)CN(C(C)C)C2CCCC2)cc1
InChIInChI=1S/C21H31N3O2/c1-4-26-20-12-10-19(11-13-20)23(15-7-14-22)21(25)16-24(17(2)3)18-8-5-6-9-18/h10-13,17-18H,4-9,15-16H2,1-3H3
InChIKeyKVHBHKXKKPRRSR-UHFFFAOYSA-N
XLogP3.98
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide
CID 86993417
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
CID 55446331
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide
CID 56572588
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55326498
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 56534162
N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide
CID 56534475
N-(2-cyanoethyl)-2-cyclohexyl-N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 56572716
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)acetamide
CID 55354921
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 24565043
N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 52621407
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 42967329
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(1S,6R)-5-methyl-4-oxo-2,5-diazabicyclo[4.1.0]heptan-2-yl]acetamide
CID 166284624

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide (CID 56569940) is N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(N(CCC#N)C(=O)CN(C(C)C)C2CCCC2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is KVHBHKXKKPRRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-4-26-20-12-10-19(11-13-20)23(15-7-14-22)21(25)16-24(17(2)3)18-8-5-6-9-18/h10-13,17-18H,4-9,15-16H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide?
N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 357.50 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 56569940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).