N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide

C14H22N2O2 — CID 110833167

IUPACN-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCC(C)N)cc1
InChIInChI=1S/C14H22N2O2/c1-3-18-13-7-4-12(5-8-13)6-9-14(17)16-10-11(2)15/h4-5,7-8,11H,3,6,9-10,15H2,1-2H3,(H,16,17)
InChIKeyIUQJFLWIRGJUTI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.48
Rot. Bonds7

About N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide

N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide (PubChem CID 110833167) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
PubChem CID110833167
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCC(C)N)cc1
InChIInChI=1S/C14H22N2O2/c1-3-18-13-7-4-12(5-8-13)6-9-14(17)16-10-11(2)15/h4-5,7-8,11H,3,6,9-10,15H2,1-2H3,(H,16,17)
InChIKeyIUQJFLWIRGJUTI-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119497823
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
2-[4-(3-aminobutyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16783381
1-N-[2-(4-ethoxyphenyl)ethyl]propane-1,2-diamine
CID 115196776
3-(4-ethoxyphenyl)-N'-methylpropanehydrazide
CID 116846343
3-(4-ethoxyphenyl)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
CID 95326565
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116847579
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(4-ethoxyphenyl)propanamide
CID 86858183

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide (CID 110833167) is N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)NCC(C)N)cc1.
What is the InChIKey of N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide?
The InChIKey is IUQJFLWIRGJUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-13-7-4-12(5-8-13)6-9-14(17)16-10-11(2)15/h4-5,7-8,11H,3,6,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide?
N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 110833167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).