N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide

C23H30N4O2 — CID 119591792

IUPACN-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide
SMILESCc1ccc(C(=O)NC(CN)C2CCCCC2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C23H30N4O2/c1-16-12-13-18(22(28)26-21(15-24)17-8-4-2-5-9-17)14-20(16)27-23(29)25-19-10-6-3-7-11-19/h3,6-7,10-14,17,21H,2,4-5,8-9,15,24H2,1H3,(H,26,28)(H2,25,27,29)
InChIKeyCCCOMLYODURVBE-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.28
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide

N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide (PubChem CID 119591792) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide
PubChem CID119591792
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide
SMILESCc1ccc(C(=O)NC(CN)C2CCCCC2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C23H30N4O2/c1-16-12-13-18(22(28)26-21(15-24)17-8-4-2-5-9-17)14-20(16)27-23(29)25-19-10-6-3-7-11-19/h3,6-7,10-14,17,21H,2,4-5,8-9,15,24H2,1H3,(H,26,28)(H2,25,27,29)
InChIKeyCCCOMLYODURVBE-UHFFFAOYSA-N
XLogP4.28
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119591804
N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119617687
N-(2-amino-1-cyclopropylethyl)-2-(phenylcarbamoylamino)propanamide
CID 119615052
N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 119615533
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide (CID 119591792) is N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide is Cc1ccc(C(=O)NC(CN)C2CCCCC2)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide?
The InChIKey is CCCOMLYODURVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16-12-13-18(22(28)26-21(15-24)17-8-4-2-5-9-17)14-20(16)27-23(29)25-19-10-6-3-7-11-19/h3,6-7,10-14,17,21H,2,4-5,8-9,15,24H2,1H3,(H,26,28)(H2,25,27,29).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide?
N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.28, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 119591792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).