[4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate

C20H26N2O3 — CID 174718439

IUPAC[4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate
SMILESNCCOc1ccc(C(CCCOC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3/c21-12-14-24-19-10-8-17(9-11-19)18(7-4-13-25-20(22)23)15-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-15,21H2,(H2,22,23)
InChIKeyWLSLYFUWIGNVMH-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.23
Rot. Bonds10

About [4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate

[4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate (PubChem CID 174718439) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate.

Molecular Properties

Compound Name[4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate
PubChem CID174718439
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate
SMILESNCCOc1ccc(C(CCCOC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3/c21-12-14-24-19-10-8-17(9-11-19)18(7-4-13-25-20(22)23)15-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-15,21H2,(H2,22,23)
InChIKeyWLSLYFUWIGNVMH-UHFFFAOYSA-N
XLogP3.23
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.23
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

4-[4-(3-aminopropoxy)phenyl]-3-phenylbutanoic acid
CID 70116294
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
(3-bromo-4-phenylbutyl) carbamate
CID 174694654
(2S)-2-amino-3-[4-(4-aminobutoxy)phenyl]propanoic acid
CID 142948465
5-phenoxy-1-phenylpentan-2-amine
CID 62935761
2-(3-aminopropyl)-5-phenoxypentanoic acid
CID 104681090
5,6-diphenylhexan-2-one
CID 134938963
6-phenoxy-2-phenylhexan-1-amine
CID 79015445
4-(4-phenylbutoxy)benzamide
CID 11963163
[4-(2-phenylethoxy)phenyl]methyl carbamate
CID 141040425
[(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate
CID 175180688
8-(4-phenylmethoxyphenoxy)octyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 16720426

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate?
The IUPAC name of [4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate (CID 174718439) is [4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate.
What is the SMILES notation for [4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate?
The canonical SMILES for [4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate is NCCOc1ccc(C(CCCOC(N)=O)Cc2ccccc2)cc1.
What is the InChIKey of [4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate?
The InChIKey is WLSLYFUWIGNVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c21-12-14-24-19-10-8-17(9-11-19)18(7-4-13-25-20(22)23)15-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-15,21H2,(H2,22,23).
What are the key properties of [4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate?
[4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate has a molecular weight of 342.44 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-aminoethoxy)phenyl]-5-phenylpentyl] carbamate is sourced from PubChem (CID 174718439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).