benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate

C21H26N2O3 — CID 91306837

IUPACbenzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate
SMILESO=C(CCCCNC(=O)OCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C21H26N2O3/c24-20(22-16-14-18-9-3-1-4-10-18)13-7-8-15-23-21(25)26-17-19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,22,24)(H,23,25)
InChIKeyWPBOABOLZMSQAK-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.44
Rot. Bonds10

About benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate

benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate (PubChem CID 91306837) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate
PubChem CID91306837
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Namebenzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate
SMILESO=C(CCCCNC(=O)OCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C21H26N2O3/c24-20(22-16-14-18-9-3-1-4-10-18)13-7-8-15-23-21(25)26-17-19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,22,24)(H,23,25)
InChIKeyWPBOABOLZMSQAK-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 462382
Mdl-28170
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Mdl 201053
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CID 70878
6-(((Phenylmethoxy)carbonyl)amino)hexanoic acid
CID 74758
MG-115
CID 9868928
Tl-3-093
CID 444425
(1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl)-Carbamic Acid Benzyl Ester
CID 5287438
N-((Phenylmethoxy)carbonyl)-L-phenylalanyl-L-phenylalanine
CID 114619
Z-Phe-Leu-OH
CID 7272330
benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
CID 56947089

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate?
The IUPAC name of benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate (CID 91306837) is benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate.
What is the SMILES notation for benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate?
The canonical SMILES for benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate is O=C(CCCCNC(=O)OCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate?
The InChIKey is WPBOABOLZMSQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-20(22-16-14-18-9-3-1-4-10-18)13-7-8-15-23-21(25)26-17-19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,22,24)(H,23,25).
What are the key properties of benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate?
benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate has a molecular weight of 354.45 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate is sourced from PubChem (CID 91306837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).