propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate

C17H35N3O5 — CID 153354034

IUPACpropyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate
SMILESCCCOC(=O)CCN(CCO)CCOC(=O)NCCCCCCN
InChIInChI=1S/C17H35N3O5/c1-2-14-24-16(22)7-10-20(11-13-21)12-15-25-17(23)19-9-6-4-3-5-8-18/h21H,2-15,18H2,1H3,(H,19,23)
InChIKeyFFDJXZYHYNDJIV-UHFFFAOYSA-N
MW361.48 g/mol
LogP0.87
Rot. Bonds16

About propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate

propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate (PubChem CID 153354034) has the molecular formula C17H35N3O5 and a molecular weight of 361.48 g/mol. Its IUPAC name is propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate.

Molecular Properties

Compound Namepropyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate
PubChem CID153354034
Molecular FormulaC17H35N3O5
Molecular Weight361.48 g/mol
Exact Mass361.26
IUPAC Namepropyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate
SMILESCCCOC(=O)CCN(CCO)CCOC(=O)NCCCCCCN
InChIInChI=1S/C17H35N3O5/c1-2-14-24-16(22)7-10-20(11-13-21)12-15-25-17(23)19-9-6-4-3-5-8-18/h21H,2-15,18H2,1H3,(H,19,23)
InChIKeyFFDJXZYHYNDJIV-UHFFFAOYSA-N
XLogP0.87
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate
CID 59782278
2-(dioctadecylamino)ethyl 3-[2-[[3-[2-(dioctadecylamino)ethoxy]-3-oxopropyl]-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propanoate
CID 168851339
butyl 6-(propoxycarbonylamino)hexanoate
CID 91709696
2-[2-[3-[bis(2-hydroxyethyl)amino]propylcarbamoyloxy]ethyl-[2-(2-hexyldecanoyloxy)ethyl]amino]ethyl (Z)-octadec-9-enoate
CID 172677391
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate
CID 58040528
2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate
CID 58715725
2-hydroxyethyl N-heptylcarbamate
CID 124705283
methyl N-[2-[bis[2-(butylcarbamoyloxy)ethyl]amino]ethyl]carbamate;hydrochloride
CID 88513482
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide
CID 172946431
2-fluoroethyl N-hexylcarbamate
CID 87287131

Frequently Asked Questions

What is the IUPAC name of propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate?
The IUPAC name of propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate (CID 153354034) is propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate.
What is the SMILES notation for propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate?
The canonical SMILES for propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate is CCCOC(=O)CCN(CCO)CCOC(=O)NCCCCCCN.
What is the InChIKey of propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate?
The InChIKey is FFDJXZYHYNDJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O5/c1-2-14-24-16(22)7-10-20(11-13-21)12-15-25-17(23)19-9-6-4-3-5-8-18/h21H,2-15,18H2,1H3,(H,19,23).
What are the key properties of propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate?
propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate has a molecular weight of 361.48 g/mol, XLogP of 0.87, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate is sourced from PubChem (CID 153354034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).