N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide

C22H35N3O2 — CID 138007304

IUPACN-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC2CCC(NC(=O)C(C(C)C)N(C)C)CC2)c1
InChIInChI=1S/C22H35N3O2/c1-14(2)20(25(5)6)22(27)24-19-9-7-18(8-10-19)23-21(26)17-12-15(3)11-16(4)13-17/h11-14,18-20H,7-10H2,1-6H3,(H,23,26)(H,24,27)
InChIKeyDPFONHVBQFVIQW-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.05
Rot. Bonds6

About N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide

N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide (PubChem CID 138007304) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide
PubChem CID138007304
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC2CCC(NC(=O)C(C(C)C)N(C)C)CC2)c1
InChIInChI=1S/C22H35N3O2/c1-14(2)20(25(5)6)22(27)24-19-9-7-18(8-10-19)23-21(26)17-12-15(3)11-16(4)13-17/h11-14,18-20H,7-10H2,1-6H3,(H,23,26)(H,24,27)
InChIKeyDPFONHVBQFVIQW-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
N-[4-(ethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 43653349
N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide
CID 119476097
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 97068063
1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide
CID 91483552
3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
CID 104850911
4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81323289

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide (CID 138007304) is N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NC2CCC(NC(=O)C(C(C)C)N(C)C)CC2)c1.
What is the InChIKey of N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide?
The InChIKey is DPFONHVBQFVIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-14(2)20(25(5)6)22(27)24-19-9-7-18(8-10-19)23-21(26)17-12-15(3)11-16(4)13-17/h11-14,18-20H,7-10H2,1-6H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide?
N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide has a molecular weight of 373.54 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 138007304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).