2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate

C14H19ClN2O4 — CID 658386

IUPAC2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate
SMILESCC(C)COC(=O)NCCOC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O4/c1-10(2)9-21-13(18)16-6-7-20-14(19)17-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKKCXNJRGKOAZPQ-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.27
Rot. Bonds6

About 2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate

2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate (PubChem CID 658386) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate
PubChem CID658386
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate
SMILESCC(C)COC(=O)NCCOC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O4/c1-10(2)9-21-13(18)16-6-7-20-14(19)17-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKKCXNJRGKOAZPQ-UHFFFAOYSA-N
XLogP3.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Chlorpropham
CID 2728
4-((((3-Chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-2-butyn-1-aminium chloride (1:1)
CID 5926
Carbamic acid, N-(4-chlorophenyl)-, ethyl ester
CID 17496
Carbanilic acid, m-chloro-, allyl ester
CID 32780
Methyl N-(3-chlorophenyl)carbamate
CID 16529
Ethyl 2-[(3-chlorophenyl)amino]acetate
CID 302656
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307
Ethyl (3-chlorophenyl)carbamate
CID 247900
2-[(Isopropoxycarbonyl)amino]ethyl 2-chlorophenylcarbamate
CID 16188841
(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium
CID 4022
Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester
CID 27574
Carbamic acid, N-(4-chlorophenyl)-, propyl ester
CID 180056

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate?
The IUPAC name of 2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate (CID 658386) is 2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate is CC(C)COC(=O)NCCOC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate?
The InChIKey is KKCXNJRGKOAZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-10(2)9-21-13(18)16-6-7-20-14(19)17-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate?
2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate has a molecular weight of 314.77 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 658386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).