2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate

C10H12N2O5 — CID 79345948

IUPAC2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate
SMILESCc1ccc(NC(=O)OCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O5/c1-7-2-3-8(6-9(7)12(15)16)11-10(14)17-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyXFQZSOLWZQHFDU-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.44
Rot. Bonds4

About 2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate

2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate (PubChem CID 79345948) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate
PubChem CID79345948
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate
SMILESCc1ccc(NC(=O)OCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O5/c1-7-2-3-8(6-9(7)12(15)16)11-10(14)17-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyXFQZSOLWZQHFDU-UHFFFAOYSA-N
XLogP1.44
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate
CID 79345647
3-methoxy-2-(4-methyl-3-nitroanilino)propan-1-ol
CID 114155572
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 40618321
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478
3-amino-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
CID 62669230
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937
4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
CID 39753327
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-methylbenzoate
CID 2506662
(2S)-4-hydroxy-2-[(4-methyl-3-nitrophenyl)carbamoylamino]butanoic acid
CID 107825793
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methyl-3-nitrophenyl)urea
CID 111452549

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate (CID 79345948) is 2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate is Cc1ccc(NC(=O)OCCO)cc1[N+](=O)[O-].
What is the InChIKey of 2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate?
The InChIKey is XFQZSOLWZQHFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-7-2-3-8(6-9(7)12(15)16)11-10(14)17-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,11,14).
What are the key properties of 2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate?
2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate has a molecular weight of 240.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate is sourced from PubChem (CID 79345948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).