propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate

C14H20ClNO3 — CID 13303908

IUPACpropan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
SMILESCCOc1c(Cl)cc(NC(=O)OC(C)C)cc1CC
InChIInChI=1S/C14H20ClNO3/c1-5-10-7-11(16-14(17)19-9(3)4)8-12(15)13(10)18-6-2/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyOIKORXDYWNEWGW-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.26
Rot. Bonds5

About propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate

propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate (PubChem CID 13303908) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
PubChem CID13303908
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Namepropan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
SMILESCCOc1c(Cl)cc(NC(=O)OC(C)C)cc1CC
InChIInChI=1S/C14H20ClNO3/c1-5-10-7-11(16-14(17)19-9(3)4)8-12(15)13(10)18-6-2/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyOIKORXDYWNEWGW-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate
CID 13304013
propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate
CID 13304051
methyl N-[5-(but-3-en-2-yloxycarbonylamino)-3-chloro-2-ethoxyphenyl]carbamate
CID 13421313
ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
CID 13303966
N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide
CID 13343257
propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate
CID 13304010
propan-2-yl 3,5-dichloro-4-ethoxybenzoate
CID 82550869
propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
CID 13259854
propan-2-yl 5-chloro-2,3,4-triethoxybenzoate
CID 96709827
propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
CID 137476904
N-(3-chloro-4,5-diethoxyphenyl)propanamide
CID 13343225
propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
CID 107364692

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate?
The IUPAC name of propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate (CID 13303908) is propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate is CCOc1c(Cl)cc(NC(=O)OC(C)C)cc1CC.
What is the InChIKey of propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate?
The InChIKey is OIKORXDYWNEWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-5-10-7-11(16-14(17)19-9(3)4)8-12(15)13(10)18-6-2/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate?
propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate has a molecular weight of 285.77 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate is sourced from PubChem (CID 13303908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).