3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide

C18H26N2O — CID 60963343

IUPAC3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC2CCCCC2)C2CC2)cc1N
InChIInChI=1S/C18H26N2O/c1-13-7-8-15(11-17(13)19)18(21)20(16-9-10-16)12-14-5-3-2-4-6-14/h7-8,11,14,16H,2-6,9-10,12,19H2,1H3
InChIKeyKFNTUBLPZSFLLD-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.76
Rot. Bonds4

About 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide

3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide (PubChem CID 60963343) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide
PubChem CID60963343
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC2CCCCC2)C2CC2)cc1N
InChIInChI=1S/C18H26N2O/c1-13-7-8-15(11-17(13)19)18(21)20(16-9-10-16)12-14-5-3-2-4-6-14/h7-8,11,14,16H,2-6,9-10,12,19H2,1H3
InChIKeyKFNTUBLPZSFLLD-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.76
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

2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide
CID 61108963
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640
N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 61053717
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 60949844
1-(3-amino-4-methylphenyl)-4-cyclohexylbutan-1-one
CID 10491537
4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide
CID 64521049
3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 107980320
1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one
CID 82136057
N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide (CID 60963343) is 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)N(CC2CCCCC2)C2CC2)cc1N.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide?
The InChIKey is KFNTUBLPZSFLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-7-8-15(11-17(13)19)18(21)20(16-9-10-16)12-14-5-3-2-4-6-14/h7-8,11,14,16H,2-6,9-10,12,19H2,1H3.
What are the key properties of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide?
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide has a molecular weight of 286.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 60963343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).