ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate

C13H19NO4 — CID 64593009

IUPACethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
SMILESCCOC(=O)N(CCO)Cc1ccccc1OC
InChIInChI=1S/C13H19NO4/c1-3-18-13(16)14(8-9-15)10-11-6-4-5-7-12(11)17-2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyIDOPFXQIQYMBLL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.65
Rot. Bonds6

About ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate

ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate (PubChem CID 64593009) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
PubChem CID64593009
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
SMILESCCOC(=O)N(CCO)Cc1ccccc1OC
InChIInChI=1S/C13H19NO4/c1-3-18-13(16)14(8-9-15)10-11-6-4-5-7-12(11)17-2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyIDOPFXQIQYMBLL-UHFFFAOYSA-N
XLogP1.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 61067842
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950154
2-[2-[2-hydroxyethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569624
(2S)-2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 61162884
2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78960889
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 60952866
1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115452933
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate?
The IUPAC name of ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate (CID 64593009) is ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate?
The canonical SMILES for ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate is CCOC(=O)N(CCO)Cc1ccccc1OC.
What is the InChIKey of ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate?
The InChIKey is IDOPFXQIQYMBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-18-13(16)14(8-9-15)10-11-6-4-5-7-12(11)17-2/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate?
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate has a molecular weight of 253.30 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 64593009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).