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

C24H29N3O4 — CID 5222480

IUPAC1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N(C(=O)CNC(C)=O)c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-18(28)25-17-22(29)27(20-9-5-3-6-10-20)24(15-7-4-8-16-24)23(30)26-19-11-13-21(31-2)14-12-19/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyMQEGKKCEKBABKX-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.51
Rot. Bonds7

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

1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 5222480) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID5222480
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N(C(=O)CNC(C)=O)c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-18(28)25-17-22(29)27(20-9-5-3-6-10-20)24(15-7-4-8-16-24)23(30)26-19-11-13-21(31-2)14-12-19/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyMQEGKKCEKBABKX-UHFFFAOYSA-N
XLogP3.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (CID 5222480) is 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(N(C(=O)CNC(C)=O)c3ccccc3)CCCCC2)cc1.
What is the InChIKey of 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is MQEGKKCEKBABKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-18(28)25-17-22(29)27(20-9-5-3-6-10-20)24(15-7-4-8-16-24)23(30)26-19-11-13-21(31-2)14-12-19/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-methoxyphenyl)cyclohexane-1-carboxamide?
1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 5222480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).