5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide

C20H31N3O2 — CID 42747203

IUPAC5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N(C)C
InChIInChI=1S/C20H31N3O2/c1-14(2)13-21-20(25)17-12-16(10-11-18(17)23(3)4)22-19(24)15-8-6-5-7-9-15/h10-12,14-15H,5-9,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyUAINYKIMALWZAA-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.66
Rot. Bonds6

About 5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide

5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide (PubChem CID 42747203) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
PubChem CID42747203
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N(C)C
InChIInChI=1S/C20H31N3O2/c1-14(2)13-21-20(25)17-12-16(10-11-18(17)23(3)4)22-19(24)15-8-6-5-7-9-15/h10-12,14-15H,5-9,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyUAINYKIMALWZAA-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide
CID 811746
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063157
N-[4-(dimethylamino)-3-(2-methylpropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 42747218
2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
CID 42747211
5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42748003
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 3538460
5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
CID 1064418
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 4036927
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide
CID 53137977

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide (CID 42747203) is 5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N(C)C.
What is the InChIKey of 5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is UAINYKIMALWZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)13-21-20(25)17-12-16(10-11-18(17)23(3)4)22-19(24)15-8-6-5-7-9-15/h10-12,14-15H,5-9,13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 345.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42747203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).