[2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate

C18H30N2O4 — CID 10382513

IUPAC[2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate
SMILESCCCCCOc1cccc(NC(=O)OCC(O)CNCCC)c1
InChIInChI=1S/C18H30N2O4/c1-3-5-6-11-23-17-9-7-8-15(12-17)20-18(22)24-14-16(21)13-19-10-4-2/h7-9,12,16,19,21H,3-6,10-11,13-14H2,1-2H3,(H,20,22)
InChIKeyIFFYPSXLNZFFPS-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.16
Rot. Bonds12

About [2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate

[2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate (PubChem CID 10382513) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is [2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate.

Molecular Properties

Compound Name[2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate
PubChem CID10382513
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name[2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate
SMILESCCCCCOc1cccc(NC(=O)OCC(O)CNCCC)c1
InChIInChI=1S/C18H30N2O4/c1-3-5-6-11-23-17-9-7-8-15(12-17)20-18(22)24-14-16(21)13-19-10-4-2/h7-9,12,16,19,21H,3-6,10-11,13-14H2,1-2H3,(H,20,22)
InChIKeyIFFYPSXLNZFFPS-UHFFFAOYSA-N
XLogP3.16
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.16
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
(2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride
CID 24836360
(3-hexoxyphenyl)urea
CID 102387253
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
butyl 2-(3-acetamidophenoxy)acetate
CID 54941709
N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817631

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate?
The IUPAC name of [2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate (CID 10382513) is [2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate.
What is the SMILES notation for [2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate?
The canonical SMILES for [2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate is CCCCCOc1cccc(NC(=O)OCC(O)CNCCC)c1.
What is the InChIKey of [2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate?
The InChIKey is IFFYPSXLNZFFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-3-5-6-11-23-17-9-7-8-15(12-17)20-18(22)24-14-16(21)13-19-10-4-2/h7-9,12,16,19,21H,3-6,10-11,13-14H2,1-2H3,(H,20,22).
What are the key properties of [2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate?
[2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate has a molecular weight of 338.45 g/mol, XLogP of 3.16, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(propylamino)propyl] N-(3-pentoxyphenyl)carbamate is sourced from PubChem (CID 10382513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).