1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide

C23H33N3O3 — CID 3240869

IUPAC1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(c1ccccc1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C23H33N3O3/c1-18(27)24-17-21(28)26(20-13-7-3-8-14-20)23(15-9-4-10-16-23)22(29)25-19-11-5-2-6-12-19/h3,7-8,13-14,19H,2,4-6,9-12,15-17H2,1H3,(H,24,27)(H,25,29)
InChIKeyRHUISGNIOBZMND-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.31
Rot. Bonds6

About 1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide

1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide (PubChem CID 3240869) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide
PubChem CID3240869
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(c1ccccc1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C23H33N3O3/c1-18(27)24-17-21(28)26(20-13-7-3-8-14-20)23(15-9-4-10-16-23)22(29)25-19-11-5-2-6-12-19/h3,7-8,13-14,19H,2,4-6,9-12,15-17H2,1H3,(H,24,27)(H,25,29)
InChIKeyRHUISGNIOBZMND-UHFFFAOYSA-N
XLogP3.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.31
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-cyclohexylcyclohexane-1-carboxamide?
The IUPAC name of 1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide (CID 3240869) is 1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide is CC(=O)NCC(=O)N(c1ccccc1)C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of 1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide?
The InChIKey is RHUISGNIOBZMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-18(27)24-17-21(28)26(20-13-7-3-8-14-20)23(15-9-4-10-16-23)22(29)25-19-11-5-2-6-12-19/h3,7-8,13-14,19H,2,4-6,9-12,15-17H2,1H3,(H,24,27)(H,25,29).
What are the key properties of 1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide?
1-(N-(2-acetamidoacetyl)anilino)-N-cyclohexylcyclohexane-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.31, 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-cyclohexylcyclohexane-1-carboxamide is sourced from PubChem (CID 3240869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).