benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate

C13H19NO4 — CID 139796649

IUPACbenzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
SMILESCCN(CC(O)CO)C(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO4/c1-2-14(8-12(16)9-15)13(17)18-10-11-6-4-3-5-7-11/h3-7,12,15-16H,2,8-10H2,1H3
InChIKeyDCXNZWHJBQUSNC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.00
Rot. Bonds6

About benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate

benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate (PubChem CID 139796649) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate.

Molecular Properties

Compound Namebenzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
PubChem CID139796649
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namebenzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
SMILESCCN(CC(O)CO)C(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO4/c1-2-14(8-12(16)9-15)13(17)18-10-11-6-4-3-5-7-11/h3-7,12,15-16H,2,8-10H2,1H3
InChIKeyDCXNZWHJBQUSNC-UHFFFAOYSA-N
XLogP1.00
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N-(2-amino-2-sulfanylideneethyl)-N-ethylcarbamate
CID 14023637
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
2,3-dihydroxypropyl (2S)-2-[bis(phenylmethoxycarbonyl)amino]-3-methylbutanoate
CID 70284264
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl (2R)-2-benzyl-4-[2,3-dihydroxypropyl(methyl)amino]-4-oxobutanoate
CID 54369785
benzyl N-[3-(benzylamino)-2-hydroxypropyl]-N-(2-methylpropyl)carbamate;hydrochloride
CID 173088993
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate?
The IUPAC name of benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate (CID 139796649) is benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate.
What is the SMILES notation for benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate?
The canonical SMILES for benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate is CCN(CC(O)CO)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate?
The InChIKey is DCXNZWHJBQUSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-14(8-12(16)9-15)13(17)18-10-11-6-4-3-5-7-11/h3-7,12,15-16H,2,8-10H2,1H3.
What are the key properties of benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate?
benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate has a molecular weight of 253.30 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate is sourced from PubChem (CID 139796649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).