2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate

C12H17NO6 — CID 79346534

IUPAC2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
SMILESCOc1ccc(NC(=O)OCCO)cc1OCCO
InChIInChI=1S/C12H17NO6/c1-17-10-3-2-9(8-11(10)18-6-4-14)13-12(16)19-7-5-15/h2-3,8,14-15H,4-7H2,1H3,(H,13,16)
InChIKeyNLCDTTLPBUMNKB-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.61
Rot. Bonds7

About 2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate

2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate (PubChem CID 79346534) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
PubChem CID79346534
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
SMILESCOc1ccc(NC(=O)OCCO)cc1OCCO
InChIInChI=1S/C12H17NO6/c1-17-10-3-2-9(8-11(10)18-6-4-14)13-12(16)19-7-5-15/h2-3,8,14-15H,4-7H2,1H3,(H,13,16)
InChIKeyNLCDTTLPBUMNKB-UHFFFAOYSA-N
XLogP0.61
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252
3-[3-(2-hydroxyethoxy)-4-methoxyanilino]-3-oxopropanoic acid
CID 55049598
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 76893076
(2S)-2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 61154260
3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
CID 60837190
2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 79346258
3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide
CID 63678845
(E)-4-[3-(2-hydroxyethoxy)-4-methoxyanilino]-4-oxobut-2-enoic acid
CID 60941052
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 65225450
2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate (CID 79346534) is 2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate is COc1ccc(NC(=O)OCCO)cc1OCCO.
What is the InChIKey of 2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate?
The InChIKey is NLCDTTLPBUMNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-17-10-3-2-9(8-11(10)18-6-4-14)13-12(16)19-7-5-15/h2-3,8,14-15H,4-7H2,1H3,(H,13,16).
What are the key properties of 2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate?
2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate has a molecular weight of 271.27 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate is sourced from PubChem (CID 79346534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).