3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide

C25H26N2O3 — CID 46409789

IUPAC3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(C(=O)N(C)CCOc2ccccc2C)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-18-13-14-21(17-22(18)26-24(28)20-10-5-4-6-11-20)25(29)27(3)15-16-30-23-12-8-7-9-19(23)2/h4-14,17H,15-16H2,1-3H3,(H,26,28)
InChIKeyDBJOLATZJWOWAN-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.71
Rot. Bonds7

About 3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide

3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide (PubChem CID 46409789) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
PubChem CID46409789
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(C(=O)N(C)CCOc2ccccc2C)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-18-13-14-21(17-22(18)26-24(28)20-10-5-4-6-11-20)25(29)27(3)15-16-30-23-12-8-7-9-19(23)2/h4-14,17H,15-16H2,1-3H3,(H,26,28)
InChIKeyDBJOLATZJWOWAN-UHFFFAOYSA-N
XLogP4.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 86909740
3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799
3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120132
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 31670360
3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 55630306
4-(acetamidomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120176
3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 46410979
methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate
CID 8920295
3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
CID 55674446
3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 55630794

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide (CID 46409789) is 3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide is Cc1ccc(C(=O)N(C)CCOc2ccccc2C)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The InChIKey is DBJOLATZJWOWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-13-14-21(17-22(18)26-24(28)20-10-5-4-6-11-20)25(29)27(3)15-16-30-23-12-8-7-9-19(23)2/h4-14,17H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 46409789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).