N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide

C16H22N2O2 — CID 95284141

IUPACN-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide
SMILESCCC[C@@H](C#N)NC(=O)CCc1ccc(OCC)cc1
InChIInChI=1S/C16H22N2O2/c1-3-5-14(12-17)18-16(19)11-8-13-6-9-15(10-7-13)20-4-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyLAXGERRXPDBCAY-AWEZNQCLSA-N
MW274.36 g/mol
LogP2.83
Rot. Bonds8

About N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide

N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide (PubChem CID 95284141) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide
PubChem CID95284141
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide
SMILESCCC[C@@H](C#N)NC(=O)CCc1ccc(OCC)cc1
InChIInChI=1S/C16H22N2O2/c1-3-5-14(12-17)18-16(19)11-8-13-6-9-15(10-7-13)20-4-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyLAXGERRXPDBCAY-AWEZNQCLSA-N
XLogP2.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutyl)-4-phenylbutanamide
CID 61119296
N-[(1S)-1-cyanobutyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 95284035
3-(4-ethoxyphenyl)-N'-methylpropanehydrazide
CID 116846343
4-[3-(4-ethoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119200943
3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116847579
1-(4-ethoxyphenyl)hexan-3-one
CID 64505470
N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
CID 110833167
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743
N-(1-cyano-3-methylbutyl)-3-phenylpropanamide
CID 112511365
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
N-(1-cyanopropyl)-3-phenoxypropanamide
CID 61119277
N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 65191439

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide (CID 95284141) is N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide is CCC[C@@H](C#N)NC(=O)CCc1ccc(OCC)cc1.
What is the InChIKey of N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide?
The InChIKey is LAXGERRXPDBCAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-5-14(12-17)18-16(19)11-8-13-6-9-15(10-7-13)20-4-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide?
N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide has a molecular weight of 274.36 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 95284141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).