butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate

C16H26N2O4 — CID 15170071

IUPACbutyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccccc1OCC(O)CNCC
InChIInChI=1S/C16H26N2O4/c1-3-5-10-21-16(20)18-14-8-6-7-9-15(14)22-12-13(19)11-17-4-2/h6-9,13,17,19H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyOXYINPCKIBZSCF-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.38
Rot. Bonds10

About butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate

butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate (PubChem CID 15170071) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate
PubChem CID15170071
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Namebutyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccccc1OCC(O)CNCC
InChIInChI=1S/C16H26N2O4/c1-3-5-10-21-16(20)18-14-8-6-7-9-15(14)22-12-13(19)11-17-4-2/h6-9,13,17,19H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyOXYINPCKIBZSCF-UHFFFAOYSA-N
XLogP2.38
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate
CID 10428105
ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride
CID 15566893
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-(2-butoxyphenyl)propanamide
CID 15943029
3-(2-butoxyanilino)propane-1,2-diol
CID 168594733
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
2-(1-butylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate
CID 3054187
butyl N-(2-sulfamoylphenyl)carbamate
CID 140550140
N-(2-butoxyphenyl)-3-methylbutanamide
CID 19204184
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
2-(1-decylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 3052817

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate?
The IUPAC name of butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate (CID 15170071) is butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate.
What is the SMILES notation for butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate?
The canonical SMILES for butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate is CCCCOC(=O)Nc1ccccc1OCC(O)CNCC.
What is the InChIKey of butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate?
The InChIKey is OXYINPCKIBZSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-3-5-10-21-16(20)18-14-8-6-7-9-15(14)22-12-13(19)11-17-4-2/h6-9,13,17,19H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate?
butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate has a molecular weight of 310.39 g/mol, XLogP of 2.38, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate is sourced from PubChem (CID 15170071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).