3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C20H26N2O2 — CID 109025785

IUPAC3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2c(C)cccc2C)cc1
InChIInChI=1S/C20H26N2O2/c1-15-5-4-6-16(2)20(15)22-14-12-19(23)21-13-11-17-7-9-18(24-3)10-8-17/h4-10,22H,11-14H2,1-3H3,(H,21,23)
InChIKeyDRZSCXWEMFKZEJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.47
Rot. Bonds8

About 3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 109025785) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID109025785
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2c(C)cccc2C)cc1
InChIInChI=1S/C20H26N2O2/c1-15-5-4-6-16(2)20(15)22-14-12-19(23)21-13-11-17-7-9-18(24-3)10-8-17/h4-10,22H,11-14H2,1-3H3,(H,21,23)
InChIKeyDRZSCXWEMFKZEJ-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025794
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide
CID 109027750
N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110411613
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025842
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025846
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 110688954
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 109025785) is 3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCNc2c(C)cccc2C)cc1.
What is the InChIKey of 3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is DRZSCXWEMFKZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-5-4-6-16(2)20(15)22-14-12-19(23)21-13-11-17-7-9-18(24-3)10-8-17/h4-10,22H,11-14H2,1-3H3,(H,21,23).
What are the key properties of 3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).