N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide

C16H24N2O3 — CID 108941583

IUPACN-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)NCC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)11-18-16(20)10-15(19)17-8-7-13-5-4-6-14(9-13)21-3/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyYYHRKFZORUVYEI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.52
Rot. Bonds8

About N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide

N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide (PubChem CID 108941583) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
PubChem CID108941583
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)NCC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)11-18-16(20)10-15(19)17-8-7-13-5-4-6-14(9-13)21-3/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyYYHRKFZORUVYEI-UHFFFAOYSA-N
XLogP1.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948687
N'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 109025637
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide (CID 108941583) is N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide is COc1cccc(CCNC(=O)CC(=O)NCC(C)C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide?
The InChIKey is YYHRKFZORUVYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)11-18-16(20)10-15(19)17-8-7-13-5-4-6-14(9-13)21-3/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide?
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide has a molecular weight of 292.38 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide is sourced from PubChem (CID 108941583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).