N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide

C25H26N2O3 — CID 50985810

IUPACN-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
SMILESCc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3OCC(C)C)c2)c1
InChIInChI=1S/C25H26N2O3/c1-17(2)16-30-23-13-5-4-12-22(23)25(29)27-21-11-7-10-20(15-21)26-24(28)19-9-6-8-18(3)14-19/h4-15,17H,16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyDZKVDDUKLSQAQM-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.53
Rot. Bonds7

About N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide

N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide (PubChem CID 50985810) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
PubChem CID50985810
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
SMILESCc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3OCC(C)C)c2)c1
InChIInChI=1S/C25H26N2O3/c1-17(2)16-30-23-13-5-4-12-22(23)25(29)27-21-11-7-10-20(15-21)26-24(28)19-9-6-8-18(3)14-19/h4-15,17H,16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyDZKVDDUKLSQAQM-UHFFFAOYSA-N
XLogP5.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164686
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
CID 54788403
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 26166788
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235611
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
N-(3-acetamido-4-methylphenyl)-2-(2-methylpropoxy)benzamide
CID 54777043
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656
N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130400

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide (CID 50985810) is N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide is Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3OCC(C)C)c2)c1.
What is the InChIKey of N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is DZKVDDUKLSQAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17(2)16-30-23-13-5-4-12-22(23)25(29)27-21-11-7-10-20(15-21)26-24(28)19-9-6-8-18(3)14-19/h4-15,17H,16H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide?
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 50985810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).