N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide

C16H26N2O3 — CID 115711920

IUPACN-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
SMILESCOCCNC(=O)CCNC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O3/c1-13(12-14-4-6-15(21-3)7-5-14)17-9-8-16(19)18-10-11-20-2/h4-7,13,17H,8-12H2,1-3H3,(H,18,19)
InChIKeyKUOYNJVHRHDLQH-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.37
Rot. Bonds10

About N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide

N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide (PubChem CID 115711920) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
PubChem CID115711920
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
SMILESCOCCNC(=O)CCNC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O3/c1-13(12-14-4-6-15(21-3)7-5-14)17-9-8-16(19)18-10-11-20-2/h4-7,13,17H,8-12H2,1-3H3,(H,18,19)
InChIKeyKUOYNJVHRHDLQH-UHFFFAOYSA-N
XLogP1.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide
CID 103910437
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 115712008
N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115889425
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propylamino]propanamide
CID 115711958
N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78814646
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43087093
N-(2-methoxyethyl)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]acetamide
CID 81371226
N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 115706324
3-(1-phenylpropan-2-ylamino)-N-propylpropanamide
CID 55148984
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide (CID 115711920) is N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide is COCCNC(=O)CCNC(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide?
The InChIKey is KUOYNJVHRHDLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(12-14-4-6-15(21-3)7-5-14)17-9-8-16(19)18-10-11-20-2/h4-7,13,17H,8-12H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide?
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide is sourced from PubChem (CID 115711920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).