N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide

C24H23N3O4 — CID 4931723

IUPACN-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
SMILESCc1ccccc1OC(C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c1-16-8-6-7-11-21(16)31-17(2)22(28)26-27-24(30)19-12-14-20(15-13-19)25-23(29)18-9-4-3-5-10-18/h3-15,17H,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyCIEWRTYEJLPWQT-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.48
Rot. Bonds6

About N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide

N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide (PubChem CID 4931723) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
PubChem CID4931723
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
SMILESCc1ccccc1OC(C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c1-16-8-6-7-11-21(16)31-17(2)22(28)26-27-24(30)19-12-14-20(15-13-19)25-23(29)18-9-4-3-5-10-18/h3-15,17H,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyCIEWRTYEJLPWQT-UHFFFAOYSA-N
XLogP3.48
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390
N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
CID 2210922
3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide
CID 4010185
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669
(2R)-N-(4-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837411
3-methyl-N-[4-[[2-(2-nitrophenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4944222
3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4952004
2-(2-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340229
N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide
CID 17195203
N-[4-[[(3-bromo-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17355526
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196352

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide (CID 4931723) is N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide is Cc1ccccc1OC(C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide?
The InChIKey is CIEWRTYEJLPWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16-8-6-7-11-21(16)31-17(2)22(28)26-27-24(30)19-12-14-20(15-13-19)25-23(29)18-9-4-3-5-10-18/h3-15,17H,1-2H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide?
N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 4931723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).