1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide

C24H29N3O3 — CID 3995261

IUPAC1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(c1ccccc1)C1(C(=O)Nc2ccc(C)cc2)CCCCC1
InChIInChI=1S/C24H29N3O3/c1-18-11-13-20(14-12-18)26-23(30)24(15-7-4-8-16-24)27(21-9-5-3-6-10-21)22(29)17-25-19(2)28/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyIQGWDYRGSDDVKM-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.81
Rot. Bonds6

About 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide

1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 3995261) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID3995261
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(c1ccccc1)C1(C(=O)Nc2ccc(C)cc2)CCCCC1
InChIInChI=1S/C24H29N3O3/c1-18-11-13-20(14-12-18)26-23(30)24(15-7-4-8-16-24)27(21-9-5-3-6-10-21)22(29)17-25-19(2)28/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyIQGWDYRGSDDVKM-UHFFFAOYSA-N
XLogP3.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide (CID 3995261) is 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide is CC(=O)NCC(=O)N(c1ccccc1)C1(C(=O)Nc2ccc(C)cc2)CCCCC1.
What is the InChIKey of 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is IQGWDYRGSDDVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18-11-13-20(14-12-18)26-23(30)24(15-7-4-8-16-24)27(21-9-5-3-6-10-21)22(29)17-25-19(2)28/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 3995261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).