N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide

C20H24N2O3 — CID 2481608

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C20H24N2O3/c1-14-6-4-9-17(12-14)25-11-10-18(23)21-13-19(24)22-20-15(2)7-5-8-16(20)3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGYJDPEJRVQSJIA-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.14
Rot. Bonds7

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide (PubChem CID 2481608) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide
PubChem CID2481608
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C20H24N2O3/c1-14-6-4-9-17(12-14)25-11-10-18(23)21-13-19(24)22-20-15(2)7-5-8-16(20)3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGYJDPEJRVQSJIA-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide (CID 2481608) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCC(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is GYJDPEJRVQSJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-6-4-9-17(12-14)25-11-10-18(23)21-13-19(24)22-20-15(2)7-5-8-16(20)3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2481608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).