[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride

C16H27ClN2O3 — CID 138401907

IUPAC[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride
SMILESCCCN(CCC)CC(O)COC(=O)Nc1ccccc1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-3-10-18(11-4-2)12-15(19)13-21-16(20)17-14-8-6-5-7-9-14;/h5-9,15,19H,3-4,10-13H2,1-2H3,(H,17,20);1H
InChIKeyNUSCCOFOZMCLGF-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.14
Rot. Bonds9

About [3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride

[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride (PubChem CID 138401907) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is [3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride.

Molecular Properties

Compound Name[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride
PubChem CID138401907
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride
SMILESCCCN(CCC)CC(O)COC(=O)Nc1ccccc1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-3-10-18(11-4-2)12-15(19)13-21-16(20)17-14-8-6-5-7-9-14;/h5-9,15,19H,3-4,10-13H2,1-2H3,(H,17,20);1H
InChIKeyNUSCCOFOZMCLGF-UHFFFAOYSA-N
XLogP3.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride
CID 53351492
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
2-(phenylcarbamoylamino)butyl N-phenylcarbamate
CID 123547961
2-(methoxycarbonylamino)butyl N-phenylcarbamate
CID 3136023
3-methylbutyl N-phenylcarbamate
CID 69480810
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
dodecyl N-phenylcarbamate
CID 521818
[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl] benzoate
CID 5134016
CID 6380648
CID 6380648
[(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate
CID 71586856
2-ethoxyethyl N-phenylcarbamate
CID 4101389
1-butoxy-3-phenylurea
CID 4061845

Frequently Asked Questions

What is the IUPAC name of [3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride?
The IUPAC name of [3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride (CID 138401907) is [3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride.
What is the SMILES notation for [3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride?
The canonical SMILES for [3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride is CCCN(CCC)CC(O)COC(=O)Nc1ccccc1.Cl.
What is the InChIKey of [3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride?
The InChIKey is NUSCCOFOZMCLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-3-10-18(11-4-2)12-15(19)13-21-16(20)17-14-8-6-5-7-9-14;/h5-9,15,19H,3-4,10-13H2,1-2H3,(H,17,20);1H.
What are the key properties of [3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride?
[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride is sourced from PubChem (CID 138401907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).