2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide

C16H25N3O — CID 102639899

IUPAC2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C2CCCCC2N)cc1
InChIInChI=1S/C16H25N3O/c1-12-7-9-13(10-8-12)18-16(20)11-19(2)15-6-4-3-5-14(15)17/h7-10,14-15H,3-6,11,17H2,1-2H3,(H,18,20)
InChIKeyZZYNYEJTVHHQQX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.14
Rot. Bonds4

About 2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide

2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 102639899) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID102639899
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C2CCCCC2N)cc1
InChIInChI=1S/C16H25N3O/c1-12-7-9-13(10-8-12)18-16(20)11-19(2)15-6-4-3-5-14(15)17/h7-10,14-15H,3-6,11,17H2,1-2H3,(H,18,20)
InChIKeyZZYNYEJTVHHQQX-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide (CID 102639899) is 2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C2CCCCC2N)cc1.
What is the InChIKey of 2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is ZZYNYEJTVHHQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-7-9-13(10-8-12)18-16(20)11-19(2)15-6-4-3-5-14(15)17/h7-10,14-15H,3-6,11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide?
2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 102639899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).