1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide

C16H22N2O2 — CID 91483552

IUPAC1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(C)cc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H22N2O2/c1-4-18(5-2)16(20)13-9-11(3)8-12(10-13)15(19)17-14-6-7-14/h8-10,14H,4-7H2,1-3H3,(H,17,19)
InChIKeyIJKPUKXCOUGQMX-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.37
Rot. Bonds5

About 1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide

1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide (PubChem CID 91483552) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide
PubChem CID91483552
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(C)cc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H22N2O2/c1-4-18(5-2)16(20)13-9-11(3)8-12(10-13)15(19)17-14-6-7-14/h8-10,14H,4-7H2,1-3H3,(H,17,19)
InChIKeyIJKPUKXCOUGQMX-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 89056342
CID 89056342
N-[4-(ethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 43653349
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
CID 113460730
N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
CID 104850911
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide
CID 138007304
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161803
3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098
4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81323289

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide (CID 91483552) is 1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide is CCN(CC)C(=O)c1cc(C)cc(C(=O)NC2CC2)c1.
What is the InChIKey of 1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide?
The InChIKey is IJKPUKXCOUGQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-18(5-2)16(20)13-9-11(3)8-12(10-13)15(19)17-14-6-7-14/h8-10,14H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide?
1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 91483552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).