benzyl 5-[ethyl(propyl)amino]pentanoate

C17H27NO2 — CID 168985583

IUPACbenzyl 5-[ethyl(propyl)amino]pentanoate
SMILESCCCN(CC)CCCCC(=O)OCc1ccccc1
InChIInChI=1S/C17H27NO2/c1-3-13-18(4-2)14-9-8-12-17(19)20-15-16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKeyGIJSAINCOACIAS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.63
Rot. Bonds10

About benzyl 5-[ethyl(propyl)amino]pentanoate

benzyl 5-[ethyl(propyl)amino]pentanoate (PubChem CID 168985583) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is benzyl 5-[ethyl(propyl)amino]pentanoate.

Molecular Properties

Compound Namebenzyl 5-[ethyl(propyl)amino]pentanoate
PubChem CID168985583
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namebenzyl 5-[ethyl(propyl)amino]pentanoate
SMILESCCCN(CC)CCCCC(=O)OCc1ccccc1
InChIInChI=1S/C17H27NO2/c1-3-13-18(4-2)14-9-8-12-17(19)20-15-16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKeyGIJSAINCOACIAS-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 5-(dimethylamino)pentanoate
CID 66632292
benzyl heptadecanoate
CID 522569
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
benzyl 4-[(4-oxo-4-phenylmethoxybutyl)-(3-oxo-3-phenylmethoxypropyl)amino]butanoate
CID 134252022
benzyl 12-oxotridecanoate
CID 21035822
benzyl 5-hydroxypentanoate
CID 19788674
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
4-[3-carboxypropyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoic acid
CID 172554292
benzyl 5-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]pentanoate
CID 59367172
[4-[4-[4-(dioctylamino)butanoyloxymethyl]phenyl]phenyl]methyl 4-(dioctylamino)butanoate
CID 139955324
[4-[4-[4-[hexyl(octyl)amino]butanoyloxymethyl]phenyl]phenyl]methyl 4-[hexyl(octyl)amino]butanoate
CID 139955722
benzyl 6-[bis(2-phenylacetyl)amino]hexanoate
CID 21156409

Frequently Asked Questions

What is the IUPAC name of benzyl 5-[ethyl(propyl)amino]pentanoate?
The IUPAC name of benzyl 5-[ethyl(propyl)amino]pentanoate (CID 168985583) is benzyl 5-[ethyl(propyl)amino]pentanoate.
What is the SMILES notation for benzyl 5-[ethyl(propyl)amino]pentanoate?
The canonical SMILES for benzyl 5-[ethyl(propyl)amino]pentanoate is CCCN(CC)CCCCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-[ethyl(propyl)amino]pentanoate?
The InChIKey is GIJSAINCOACIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-13-18(4-2)14-9-8-12-17(19)20-15-16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of benzyl 5-[ethyl(propyl)amino]pentanoate?
benzyl 5-[ethyl(propyl)amino]pentanoate has a molecular weight of 277.41 g/mol, XLogP of 3.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-[ethyl(propyl)amino]pentanoate is sourced from PubChem (CID 168985583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).