ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate

C12H18N2O4 — CID 168597581

IUPACethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NCC(O)CO)c1
InChIInChI=1S/C12H18N2O4/c1-2-18-12(17)14-10-5-3-4-9(6-10)13-7-11(16)8-15/h3-6,11,13,15-16H,2,7-8H2,1H3,(H,14,17)
InChIKeyWKPFGYTVMACFMC-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.02
Rot. Bonds6

About ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate

ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate (PubChem CID 168597581) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate
PubChem CID168597581
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NCC(O)CO)c1
InChIInChI=1S/C12H18N2O4/c1-2-18-12(17)14-10-5-3-4-9(6-10)13-7-11(16)8-15/h3-6,11,13,15-16H,2,7-8H2,1H3,(H,14,17)
InChIKeyWKPFGYTVMACFMC-UHFFFAOYSA-N
XLogP1.02
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
[3-(2,3-dihydroxypropylamino)phenyl]urea
CID 23202913
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
3-(3-methylanilino)propane-1,2-diol
CID 3016394
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide
CID 168593137
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
3-[3-(2,5-dimethylpyrrol-1-yl)anilino]propane-1,2-diol
CID 168593844
ethyl 3-hydroxy-4-(3-iodoanilino)butanoate
CID 103236703
N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide
CID 168594455
3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide
CID 168596635

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate (CID 168597581) is ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate is CCOC(=O)Nc1cccc(NCC(O)CO)c1.
What is the InChIKey of ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate?
The InChIKey is WKPFGYTVMACFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-18-12(17)14-10-5-3-4-9(6-10)13-7-11(16)8-15/h3-6,11,13,15-16H,2,7-8H2,1H3,(H,14,17).
What are the key properties of ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate?
ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate has a molecular weight of 254.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate is sourced from PubChem (CID 168597581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).