propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate

C14H18ClNO3 — CID 175159773

IUPACpropyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate
SMILESCCCOC(=O)N(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C14H18ClNO3/c1-4-8-19-14(18)16(12(17)9-15)13-10(2)6-5-7-11(13)3/h5-7H,4,8-9H2,1-3H3
InChIKeySXQDJISEJUNMQZ-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.42
Rot. Bonds4

About propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate

propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate (PubChem CID 175159773) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Namepropyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate
PubChem CID175159773
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Namepropyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate
SMILESCCCOC(=O)N(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C14H18ClNO3/c1-4-8-19-14(18)16(12(17)9-15)13-10(2)6-5-7-11(13)3/h5-7H,4,8-9H2,1-3H3
InChIKeySXQDJISEJUNMQZ-UHFFFAOYSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate?
The IUPAC name of propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate (CID 175159773) is propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate.
What is the SMILES notation for propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate?
The canonical SMILES for propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate is CCCOC(=O)N(C(=O)CCl)c1c(C)cccc1C.
What is the InChIKey of propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate?
The InChIKey is SXQDJISEJUNMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-4-8-19-14(18)16(12(17)9-15)13-10(2)6-5-7-11(13)3/h5-7H,4,8-9H2,1-3H3.
What are the key properties of propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate?
propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate has a molecular weight of 283.76 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate is sourced from PubChem (CID 175159773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).