5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate

C22H38N2O2 — CID 67601776

IUPAC5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)N(CCCCCN)C(=O)OCCCCCc1ccccc1
InChIInChI=1S/C22H38N2O2/c1-4-22(2,3)24(18-12-7-11-17-23)21(25)26-19-13-6-10-16-20-14-8-5-9-15-20/h5,8-9,14-15H,4,6-7,10-13,16-19,23H2,1-3H3
InChIKeyFHKUZVCSTOBAQC-UHFFFAOYSA-N
MW362.56 g/mol
LogP5.16
Rot. Bonds13

About 5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate

5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate (PubChem CID 67601776) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Name5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate
PubChem CID67601776
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)N(CCCCCN)C(=O)OCCCCCc1ccccc1
InChIInChI=1S/C22H38N2O2/c1-4-22(2,3)24(18-12-7-11-17-23)21(25)26-19-13-6-10-16-20-14-8-5-9-15-20/h5,8-9,14-15H,4,6-7,10-13,16-19,23H2,1-3H3
InChIKeyFHKUZVCSTOBAQC-UHFFFAOYSA-N
XLogP5.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(7-aminoheptyl)-N-(2-phenylethyl)carbamate
CID 146018002
heptyl 7-phenylheptyl carbonate
CID 67251382
ethyl 6-phenylhexyl carbonate
CID 67250774
tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate
CID 67024101
13-phenyltridecan-1-amine
CID 19801439
8-phenyloctyl carbamate
CID 67180735
benzyl N-(2,2-dimethoxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate
CID 11454242
[(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid
CID 68714573
1-O-heptadecyl 3-O-(3-phenylpropyl) 2,2-diethylpropanedioate
CID 91710104
4-phenylbutyl 2-heptylundecanoate
CID 129279311
tert-butyl N-(5-phenylpentoxy)carbamate
CID 11536449
2-(2-fluoroethoxy)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175013794

Frequently Asked Questions

What is the IUPAC name of 5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate?
The IUPAC name of 5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate (CID 67601776) is 5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate.
What is the SMILES notation for 5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate?
The canonical SMILES for 5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate is CCC(C)(C)N(CCCCCN)C(=O)OCCCCCc1ccccc1.
What is the InChIKey of 5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate?
The InChIKey is FHKUZVCSTOBAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-4-22(2,3)24(18-12-7-11-17-23)21(25)26-19-13-6-10-16-20-14-8-5-9-15-20/h5,8-9,14-15H,4,6-7,10-13,16-19,23H2,1-3H3.
What are the key properties of 5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate?
5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate has a molecular weight of 362.56 g/mol, XLogP of 5.16, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate is sourced from PubChem (CID 67601776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).