3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide

C17H26N2O2 — CID 81094084

IUPAC3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)N(C)C2CCCC(C)C2)c1
InChIInChI=1S/C17H26N2O2/c1-4-21-16-10-13(9-14(18)11-16)17(20)19(3)15-7-5-6-12(2)8-15/h9-12,15H,4-8,18H2,1-3H3
InChIKeyPNJMPCYDWXVPPB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.32
Rot. Bonds4

About 3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide

3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide (PubChem CID 81094084) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide
PubChem CID81094084
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)N(C)C2CCCC(C)C2)c1
InChIInChI=1S/C17H26N2O2/c1-4-21-16-10-13(9-14(18)11-16)17(20)19(3)15-7-5-6-12(2)8-15/h9-12,15H,4-8,18H2,1-3H3
InChIKeyPNJMPCYDWXVPPB-UHFFFAOYSA-N
XLogP3.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide (CID 81094084) is 3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide is CCOc1cc(N)cc(C(=O)N(C)C2CCCC(C)C2)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide?
The InChIKey is PNJMPCYDWXVPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-16-10-13(9-14(18)11-16)17(20)19(3)15-7-5-6-12(2)8-15/h9-12,15H,4-8,18H2,1-3H3.
What are the key properties of 3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide?
3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide is sourced from PubChem (CID 81094084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).