N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide

C23H29N3O2 — CID 54816101

IUPACN-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide
SMILESCc1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1C
InChIInChI=1S/C23H29N3O2/c1-16-7-6-10-21(17(16)2)24-15-22(27)25-20-13-11-18(12-14-20)23(28)26-19-8-4-3-5-9-19/h6-7,10-14,19,24H,3-5,8-9,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPGXZORWMOINIJI-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.42
Rot. Bonds6

About N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide

N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide (PubChem CID 54816101) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide
PubChem CID54816101
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide
SMILESCc1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1C
InChIInChI=1S/C23H29N3O2/c1-16-7-6-10-21(17(16)2)24-15-22(27)25-20-13-11-18(12-14-20)23(28)26-19-8-4-3-5-9-19/h6-7,10-14,19,24H,3-5,8-9,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPGXZORWMOINIJI-UHFFFAOYSA-N
XLogP4.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54814827
4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816658
2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54811917
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829639
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54846165
N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54843789
2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide
CID 34067869

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide (CID 54816101) is N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide is Cc1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1C.
What is the InChIKey of N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide?
The InChIKey is PGXZORWMOINIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-7-6-10-21(17(16)2)24-15-22(27)25-20-13-11-18(12-14-20)23(28)26-19-8-4-3-5-9-19/h6-7,10-14,19,24H,3-5,8-9,15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide?
N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54816101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).