3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C17H26N2O4 — CID 113114987

IUPAC3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCCCN(CCC(=O)NCCOc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C17H26N2O4/c1-4-11-19(14(2)20)12-9-17(21)18-10-13-23-16-7-5-15(22-3)6-8-16/h5-8H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyCTRWXINUIOEIJZ-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.84
Rot. Bonds10

About 3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide

3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 113114987) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID113114987
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCCCN(CCC(=O)NCCOc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C17H26N2O4/c1-4-11-19(14(2)20)12-9-17(21)18-10-13-23-16-7-5-15(22-3)6-8-16/h5-8H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyCTRWXINUIOEIJZ-UHFFFAOYSA-N
XLogP1.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113119130
3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123406
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide
CID 113122339
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 113119864
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113122366
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113124184
3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
CID 113054996
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
CID 113122371
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113122386
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113115841

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 113114987) is 3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide is CCCN(CCC(=O)NCCOc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is CTRWXINUIOEIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-11-19(14(2)20)12-9-17(21)18-10-13-23-16-7-5-15(22-3)6-8-16/h5-8H,4,9-13H2,1-3H3,(H,18,21).
What are the key properties of 3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 322.40 g/mol, XLogP of 1.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 113114987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).