2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C22H26N4O3 — CID 54811917

IUPAC2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H26N4O3/c23-21(28)18-8-4-5-9-19(18)24-14-20(27)25-17-12-10-15(11-13-17)22(29)26-16-6-2-1-3-7-16/h4-5,8-13,16,24H,1-3,6-7,14H2,(H2,23,28)(H,25,27)(H,26,29)
InChIKeyXVMREUZXIFOXGA-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.90
Rot. Bonds7

About 2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54811917) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54811917
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H26N4O3/c23-21(28)18-8-4-5-9-19(18)24-14-20(27)25-17-12-10-15(11-13-17)22(29)26-16-6-2-1-3-7-16/h4-5,8-13,16,24H,1-3,6-7,14H2,(H2,23,28)(H,25,27)(H,26,29)
InChIKeyXVMREUZXIFOXGA-UHFFFAOYSA-N
XLogP2.90
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816658
N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide
CID 54816101
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54814827
2-[[2-(4-carbamoylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 78793094
2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 16606580
N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829639
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide
CID 24614903
methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
CID 30637236
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54811917) is 2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is NC(=O)c1ccccc1NCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is XVMREUZXIFOXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c23-21(28)18-8-4-5-9-19(18)24-14-20(27)25-17-12-10-15(11-13-17)22(29)26-16-6-2-1-3-7-16/h4-5,8-13,16,24H,1-3,6-7,14H2,(H2,23,28)(H,25,27)(H,26,29).
What are the key properties of 2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54811917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).