[3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate

C19H32N2O4 — CID 10428105

IUPAC[3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate
SMILESCCCCCOc1ccccc1NC(=O)OCC(O)CNCCCC
InChIInChI=1S/C19H32N2O4/c1-3-5-9-13-24-18-11-8-7-10-17(18)21-19(23)25-15-16(22)14-20-12-6-4-2/h7-8,10-11,16,20,22H,3-6,9,12-15H2,1-2H3,(H,21,23)
InChIKeyIRHTYEPZOSZAAN-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.55
Rot. Bonds13

About [3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate

[3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate (PubChem CID 10428105) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is [3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate.

Molecular Properties

Compound Name[3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate
PubChem CID10428105
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name[3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate
SMILESCCCCCOc1ccccc1NC(=O)OCC(O)CNCCCC
InChIInChI=1S/C19H32N2O4/c1-3-5-9-13-24-18-11-8-7-10-17(18)21-19(23)25-15-16(22)14-20-12-6-4-2/h7-8,10-11,16,20,22H,3-6,9,12-15H2,1-2H3,(H,21,23)
InChIKeyIRHTYEPZOSZAAN-UHFFFAOYSA-N
XLogP3.55
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.55
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

butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate
CID 15170071
[2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate
CID 10382513
2-(1-butylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate
CID 3054187
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
2-(4-ethylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 3072265
2-(azepan-1-yl)ethyl N-(2-pentoxyphenyl)carbamate;hydrochloride
CID 138400224
2-(1-decylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 3052817
1,3-bis(2-butoxyphenyl)urea
CID 17170447
2-(1-heptylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
CID 3052810
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride
CID 15566893

Frequently Asked Questions

What is the IUPAC name of [3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate?
The IUPAC name of [3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate (CID 10428105) is [3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate.
What is the SMILES notation for [3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate?
The canonical SMILES for [3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate is CCCCCOc1ccccc1NC(=O)OCC(O)CNCCCC.
What is the InChIKey of [3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate?
The InChIKey is IRHTYEPZOSZAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-3-5-9-13-24-18-11-8-7-10-17(18)21-19(23)25-15-16(22)14-20-12-6-4-2/h7-8,10-11,16,20,22H,3-6,9,12-15H2,1-2H3,(H,21,23).
What are the key properties of [3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate?
[3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate has a molecular weight of 352.48 g/mol, XLogP of 3.55, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(butylamino)-2-hydroxypropyl] N-(2-pentoxyphenyl)carbamate is sourced from PubChem (CID 10428105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).