N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide

C22H27N3O2 — CID 54839417

IUPACN-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
SMILESCN(C(=O)CNc1cccc(NC(=O)c2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C22H27N3O2/c1-25(20-13-6-3-7-14-20)21(26)16-23-18-11-8-12-19(15-18)24-22(27)17-9-4-2-5-10-17/h2,4-5,8-12,15,20,23H,3,6-7,13-14,16H2,1H3,(H,24,27)
InChIKeyOTLFVSXRQCNSRV-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.14
Rot. Bonds6

About N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide

N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 54839417) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
PubChem CID54839417
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
SMILESCN(C(=O)CNc1cccc(NC(=O)c2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C22H27N3O2/c1-25(20-13-6-3-7-14-20)21(26)16-23-18-11-8-12-19(15-18)24-22(27)17-9-4-2-5-10-17/h2,4-5,8-12,15,20,23H,3,6-7,13-14,16H2,1H3,(H,24,27)
InChIKeyOTLFVSXRQCNSRV-UHFFFAOYSA-N
XLogP4.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838807
N-[3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839121
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
N-cyclohexyl-N-methyl-2-(3-propoxyanilino)acetamide
CID 54825123
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840118
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839256
2-(3-acetylanilino)-N-cyclohexyl-N-ethylacetamide
CID 47005247
N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide
CID 54812377
2-anilino-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 54927274
3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
CID 51210719

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide (CID 54839417) is N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide is CN(C(=O)CNc1cccc(NC(=O)c2ccccc2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is OTLFVSXRQCNSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-25(20-13-6-3-7-14-20)21(26)16-23-18-11-8-12-19(15-18)24-22(27)17-9-4-2-5-10-17/h2,4-5,8-12,15,20,23H,3,6-7,13-14,16H2,1H3,(H,24,27).
What are the key properties of N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide?
N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 54839417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).