N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide

C30H35N3O4 — CID 42707093

IUPACN-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide
SMILESCOc1ccc(NC(=O)N(CCCNC(=O)C2CCCCC2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H35N3O4/c1-36-26-17-13-24(14-18-26)32-30(35)33(22-8-21-31-29(34)23-9-4-2-5-10-23)25-15-19-28(20-16-25)37-27-11-6-3-7-12-27/h3,6-7,11-20,23H,2,4-5,8-10,21-22H2,1H3,(H,31,34)(H,32,35)
InChIKeyJINIJCULLQEDEM-UHFFFAOYSA-N
MW501.63 g/mol
LogP6.61
Rot. Bonds10

About N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide

N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide (PubChem CID 42707093) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide
PubChem CID42707093
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC NameN-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide
SMILESCOc1ccc(NC(=O)N(CCCNC(=O)C2CCCCC2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H35N3O4/c1-36-26-17-13-24(14-18-26)32-30(35)33(22-8-21-31-29(34)23-9-4-2-5-10-23)25-15-19-28(20-16-25)37-27-11-6-3-7-12-27/h3,6-7,11-20,23H,2,4-5,8-10,21-22H2,1H3,(H,31,34)(H,32,35)
InChIKeyJINIJCULLQEDEM-UHFFFAOYSA-N
XLogP6.61
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide
CID 42708287
N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707212
3-(4-methoxyphenyl)-1-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-1-(4-phenoxyphenyl)urea
CID 3919297
N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
CID 42704529
3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide
CID 42725939
N-[3-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]-2-phenylbutanamide
CID 42704458
3-(2-fluorophenyl)-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 42726113
1-[3-[(3-methoxyphenyl)carbamoylamino]propyl]-3-(4-methylphenyl)-1-phenylurea
CID 42702260
3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 4210938
1-[3-(cyclohexylcarbamoylamino)propyl]-1-(4-fluorophenyl)-3-phenylurea
CID 42704537
N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide
CID 42702472
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857

Frequently Asked Questions

What is the IUPAC name of N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide (CID 42707093) is N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide is COc1ccc(NC(=O)N(CCCNC(=O)C2CCCCC2)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide?
The InChIKey is JINIJCULLQEDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4/c1-36-26-17-13-24(14-18-26)32-30(35)33(22-8-21-31-29(34)23-9-4-2-5-10-23)25-15-19-28(20-16-25)37-27-11-6-3-7-12-27/h3,6-7,11-20,23H,2,4-5,8-10,21-22H2,1H3,(H,31,34)(H,32,35).
What are the key properties of N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide?
N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide has a molecular weight of 501.63 g/mol, XLogP of 6.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 42707093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).