5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide

C16H22N2O — CID 102705640

IUPAC5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(CC2CC2)C2CC2)cc1N
InChIInChI=1S/C16H22N2O/c1-10-7-11(2)15(17)8-14(10)16(19)18(13-5-6-13)9-12-3-4-12/h7-8,12-13H,3-6,9,17H2,1-2H3
InChIKeyIIIOCGZBFQSBCT-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.90
Rot. Bonds4

About 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide

5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide (PubChem CID 102705640) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
PubChem CID102705640
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(CC2CC2)C2CC2)cc1N
InChIInChI=1S/C16H22N2O/c1-10-7-11(2)15(17)8-14(10)16(19)18(13-5-6-13)9-12-3-4-12/h7-8,12-13H,3-6,9,17H2,1-2H3
InChIKeyIIIOCGZBFQSBCT-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102858844
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide
CID 60963343
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
CID 113386511
2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 114193974
3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 104852761
4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide
CID 64521049
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
CID 102706148
N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide
CID 107723158
N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79818975
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide
CID 61108963
2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide
CID 113364301

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide (CID 102705640) is 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)N(CC2CC2)C2CC2)cc1N.
What is the InChIKey of 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide?
The InChIKey is IIIOCGZBFQSBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-7-11(2)15(17)8-14(10)16(19)18(13-5-6-13)9-12-3-4-12/h7-8,12-13H,3-6,9,17H2,1-2H3.
What are the key properties of 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide?
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide has a molecular weight of 258.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102705640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).