propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate

C14H20ClNO5 — CID 15593134

IUPACpropan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate
SMILESCCOc1c(Cl)cc(N(O)C(=O)OC(C)C)cc1COC
InChIInChI=1S/C14H20ClNO5/c1-5-20-13-10(8-19-4)6-11(7-12(13)15)16(18)14(17)21-9(2)3/h6-7,9,18H,5,8H2,1-4H3
InChIKeyPEPAPCKKPLAGNB-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.63
Rot. Bonds6

About propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate

propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate (PubChem CID 15593134) has the molecular formula C14H20ClNO5 and a molecular weight of 317.77 g/mol. Its IUPAC name is propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate
PubChem CID15593134
Molecular FormulaC14H20ClNO5
Molecular Weight317.77 g/mol
Exact Mass317.10
IUPAC Namepropan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate
SMILESCCOc1c(Cl)cc(N(O)C(=O)OC(C)C)cc1COC
InChIInChI=1S/C14H20ClNO5/c1-5-20-13-10(8-19-4)6-11(7-12(13)15)16(18)14(17)21-9(2)3/h6-7,9,18H,5,8H2,1-4H3
InChIKeyPEPAPCKKPLAGNB-UHFFFAOYSA-N
XLogP3.63
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-ethoxy-5-(methoxymethyl)aniline
CID 13335751
N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide
CID 13343257
propan-2-yl 3,5-dichloro-4-ethoxybenzoate
CID 82550869
propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
CID 13303908
propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate
CID 13304051
propan-2-yl 5-chloro-2,3,4-triethoxybenzoate
CID 96709827
N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-2-phenoxyacetamide
CID 13343268
1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one
CID 83894588
propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate
CID 82553264
propan-2-yl N-(3,4-diethoxy-5-nitrophenyl)-N-methylcarbamate
CID 13421472
2-[(3,5-dichloro-4-ethoxyphenyl)methylamino]propanoic acid
CID 66527925
propan-2-yl 2-(3,5-ditert-butyl-4-ethoxyphenyl)acetate
CID 82552909

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate?
The IUPAC name of propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate (CID 15593134) is propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate.
What is the SMILES notation for propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate?
The canonical SMILES for propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate is CCOc1c(Cl)cc(N(O)C(=O)OC(C)C)cc1COC.
What is the InChIKey of propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate?
The InChIKey is PEPAPCKKPLAGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO5/c1-5-20-13-10(8-19-4)6-11(7-12(13)15)16(18)14(17)21-9(2)3/h6-7,9,18H,5,8H2,1-4H3.
What are the key properties of propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate?
propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate has a molecular weight of 317.77 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate is sourced from PubChem (CID 15593134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).