N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide

C23H29N3O3 — CID 55345343

IUPACN-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)NC3CCCCC3C)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-16-5-3-4-6-21(16)26-22(27)15-24-18-9-7-17(8-10-18)23(28)25-19-11-13-20(29-2)14-12-19/h7-14,16,21,24H,3-6,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyAOMMAJWBIYXXKI-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.05
Rot. Bonds7

About N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide

N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide (PubChem CID 55345343) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide
PubChem CID55345343
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)NC3CCCCC3C)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-16-5-3-4-6-21(16)26-22(27)15-24-18-9-7-17(8-10-18)23(28)25-19-11-13-20(29-2)14-12-19/h7-14,16,21,24H,3-6,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyAOMMAJWBIYXXKI-UHFFFAOYSA-N
XLogP4.05
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide with MolForge

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Related Compounds

N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9253004
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8614526
N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide
CID 129426905
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
1-(4-methoxyphenyl)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8616277
N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78808028
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
2-methoxy-N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9320007
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988
N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 37475742
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide (CID 55345343) is N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(NCC(=O)NC3CCCCC3C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide?
The InChIKey is AOMMAJWBIYXXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-5-3-4-6-21(16)26-22(27)15-24-18-9-7-17(8-10-18)23(28)25-19-11-13-20(29-2)14-12-19/h7-14,16,21,24H,3-6,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide?
N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide has a molecular weight of 395.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 55345343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).