2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide

C19H26N6O — CID 55565410

IUPAC2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)CC1
InChIInChI=1S/C19H26N6O/c1-13-2-6-16(7-3-13)21-18(26)12-20-15-8-4-14(5-9-15)19-22-23-24-25(19)17-10-11-17/h4-5,8-9,13,16-17,20H,2-3,6-7,10-12H2,1H3,(H,21,26)
InChIKeyMBKVGLFKBZPMDI-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.78
Rot. Bonds6

About 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide

2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide (PubChem CID 55565410) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide
PubChem CID55565410
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)CC1
InChIInChI=1S/C19H26N6O/c1-13-2-6-16(7-3-13)21-18(26)12-20-15-8-4-14(5-9-15)19-22-23-24-25(19)17-10-11-17/h4-5,8-9,13,16-17,20H,2-3,6-7,10-12H2,1H3,(H,21,26)
InChIKeyMBKVGLFKBZPMDI-UHFFFAOYSA-N
XLogP2.78
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide (CID 55565410) is 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)CC1.
What is the InChIKey of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is MBKVGLFKBZPMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13-2-6-16(7-3-13)21-18(26)12-20-15-8-4-14(5-9-15)19-22-23-24-25(19)17-10-11-17/h4-5,8-9,13,16-17,20H,2-3,6-7,10-12H2,1H3,(H,21,26).
What are the key properties of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide?
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 354.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 55565410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).