N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide

C26H27N3O3 — CID 42708287

IUPACN-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCN(C(=O)Nc1ccccc1)c1ccc(Oc2ccccc2)cc1)C1CCC1
InChIInChI=1S/C26H27N3O3/c30-25(20-8-7-9-20)27-18-19-29(26(31)28-21-10-3-1-4-11-21)22-14-16-24(17-15-22)32-23-12-5-2-6-13-23/h1-6,10-17,20H,7-9,18-19H2,(H,27,30)(H,28,31)
InChIKeyWNRNBVNIWSOOEW-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.43
Rot. Bonds8

About N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide

N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide (PubChem CID 42708287) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide
PubChem CID42708287
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCN(C(=O)Nc1ccccc1)c1ccc(Oc2ccccc2)cc1)C1CCC1
InChIInChI=1S/C26H27N3O3/c30-25(20-8-7-9-20)27-18-19-29(26(31)28-21-10-3-1-4-11-21)22-14-16-24(17-15-22)32-23-12-5-2-6-13-23/h1-6,10-17,20H,7-9,18-19H2,(H,27,30)(H,28,31)
InChIKeyWNRNBVNIWSOOEW-UHFFFAOYSA-N
XLogP5.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide
CID 42707093
N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707212
3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 4210938
3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide
CID 42725939
1-(4-phenoxyphenyl)-3-phenyl-1-[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 42708779
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707248
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
CID 113061127
4-tert-butyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
CID 42726194
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide
CID 24750194
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 42700449

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide (CID 42708287) is N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide is O=C(NCCN(C(=O)Nc1ccccc1)c1ccc(Oc2ccccc2)cc1)C1CCC1.
What is the InChIKey of N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide?
The InChIKey is WNRNBVNIWSOOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c30-25(20-8-7-9-20)27-18-19-29(26(31)28-21-10-3-1-4-11-21)22-14-16-24(17-15-22)32-23-12-5-2-6-13-23/h1-6,10-17,20H,7-9,18-19H2,(H,27,30)(H,28,31).
What are the key properties of N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide?
N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide has a molecular weight of 429.52 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 42708287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).