N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide

C23H23N3O2 — CID 55918836

IUPACN-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide
SMILESCc1c(NCC(=O)NCc2ccccc2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-17-20(24-16-22(27)25-15-18-9-4-2-5-10-18)13-8-14-21(17)26-23(28)19-11-6-3-7-12-19/h2-14,24H,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyRGZKWFNNQCROOR-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.98
Rot. Bonds7

About N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide

N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide (PubChem CID 55918836) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide
PubChem CID55918836
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide
SMILESCc1c(NCC(=O)NCc2ccccc2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-17-20(24-16-22(27)25-15-18-9-4-2-5-10-18)13-8-14-21(17)26-23(28)19-11-6-3-7-12-19/h2-14,24H,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyRGZKWFNNQCROOR-UHFFFAOYSA-N
XLogP3.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide?
The IUPAC name of N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide (CID 55918836) is N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide is Cc1c(NCC(=O)NCc2ccccc2)cccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide?
The InChIKey is RGZKWFNNQCROOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-17-20(24-16-22(27)25-15-18-9-4-2-5-10-18)13-8-14-21(17)26-23(28)19-11-6-3-7-12-19/h2-14,24H,15-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide?
N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide is sourced from PubChem (CID 55918836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).