N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide

C14H22N2O2 — CID 43254054

IUPACN-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
SMILESCCc1ccc(OCC(=O)N(C)CCCN)cc1
InChIInChI=1S/C14H22N2O2/c1-3-12-5-7-13(8-6-12)18-11-14(17)16(2)10-4-9-15/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyKZYNWAUHZJQTAO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.43
Rot. Bonds7

About N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide

N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide (PubChem CID 43254054) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
PubChem CID43254054
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
SMILESCCc1ccc(OCC(=O)N(C)CCCN)cc1
InChIInChI=1S/C14H22N2O2/c1-3-12-5-7-13(8-6-12)18-11-14(17)16(2)10-4-9-15/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyKZYNWAUHZJQTAO-UHFFFAOYSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
2-(4-ethylphenoxy)-N-methylacetohydrazide
CID 116820497
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
CID 119652992
N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 86907760
2-[4-(4-aminobutyl)phenoxy]-N,N-dimethylacetamide
CID 22054431
2-(4-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 19165748
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43376419
2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide
CID 43373935
4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid
CID 43240334
1-(4-ethylphenoxy)propan-2-one
CID 21325379
2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 43309389

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide (CID 43254054) is N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide is CCc1ccc(OCC(=O)N(C)CCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide?
The InChIKey is KZYNWAUHZJQTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-5-7-13(8-6-12)18-11-14(17)16(2)10-4-9-15/h5-8H,3-4,9-11,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide?
N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide is sourced from PubChem (CID 43254054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).