N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide

C24H29N3O3 — CID 6621168

IUPACN-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H29N3O3/c1-17(28)25-20-12-14-21(15-13-20)26-24(30)22(16-18-8-4-2-5-9-18)27-23(29)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,22H,3,6-7,10-11,16H2,1H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyDMFKLNJYXKTFRV-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.89
Rot. Bonds7

About N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide

N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide (PubChem CID 6621168) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
PubChem CID6621168
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H29N3O3/c1-17(28)25-20-12-14-21(15-13-20)26-24(30)22(16-18-8-4-2-5-9-18)27-23(29)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,22H,3,6-7,10-11,16H2,1H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyDMFKLNJYXKTFRV-UHFFFAOYSA-N
XLogP3.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide (CID 6621168) is N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide is CC(=O)Nc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide?
The InChIKey is DMFKLNJYXKTFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(28)25-20-12-14-21(15-13-20)26-24(30)22(16-18-8-4-2-5-9-18)27-23(29)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,22H,3,6-7,10-11,16H2,1H3,(H,25,28)(H,26,30)(H,27,29).
What are the key properties of N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide?
N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 6621168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).