4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide

C18H26N2O — CID 119733265

IUPAC4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide
SMILESCCC1CCC(N(C(=O)c2ccc(N)cc2)C2CC2)CC1
InChIInChI=1S/C18H26N2O/c1-2-13-3-9-16(10-4-13)20(17-11-12-17)18(21)14-5-7-15(19)8-6-14/h5-8,13,16-17H,2-4,9-12,19H2,1H3
InChIKeyKFEJLNWNZLFBFJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.84
Rot. Bonds4

About 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide

4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide (PubChem CID 119733265) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide
PubChem CID119733265
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide
SMILESCCC1CCC(N(C(=O)c2ccc(N)cc2)C2CC2)CC1
InChIInChI=1S/C18H26N2O/c1-2-13-3-9-16(10-4-13)20(17-11-12-17)18(21)14-5-7-15(19)8-6-14/h5-8,13,16-17H,2-4,9-12,19H2,1H3
InChIKeyKFEJLNWNZLFBFJ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide (CID 119733265) is 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide is CCC1CCC(N(C(=O)c2ccc(N)cc2)C2CC2)CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide?
The InChIKey is KFEJLNWNZLFBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-13-3-9-16(10-4-13)20(17-11-12-17)18(21)14-5-7-15(19)8-6-14/h5-8,13,16-17H,2-4,9-12,19H2,1H3.
What are the key properties of 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide?
4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide has a molecular weight of 286.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide is sourced from PubChem (CID 119733265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).