2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate

C17H23Cl2N3O4 — CID 20516696

IUPAC2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN(C)C(=O)Nc1cccc(OCC2(C)CC2(Cl)Cl)c1
InChIInChI=1S/C17H23Cl2N3O4/c1-16(10-17(16,18)19)11-26-13-6-4-5-12(9-13)21-14(23)22(3)7-8-25-15(24)20-2/h4-6,9H,7-8,10-11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyQUQSQNDXXSVBFN-UHFFFAOYSA-N
MW404.29 g/mol
LogP3.47
Rot. Bonds7

About 2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate

2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate (PubChem CID 20516696) has the molecular formula C17H23Cl2N3O4 and a molecular weight of 404.29 g/mol. Its IUPAC name is 2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate
PubChem CID20516696
Molecular FormulaC17H23Cl2N3O4
Molecular Weight404.29 g/mol
Exact Mass403.11
IUPAC Name2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN(C)C(=O)Nc1cccc(OCC2(C)CC2(Cl)Cl)c1
InChIInChI=1S/C17H23Cl2N3O4/c1-16(10-17(16,18)19)11-26-13-6-4-5-12(9-13)21-14(23)22(3)7-8-25-15(24)20-2/h4-6,9H,7-8,10-11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyQUQSQNDXXSVBFN-UHFFFAOYSA-N
XLogP3.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101625
1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
CID 38147908
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130
3-[3-(2-chloroethoxy)phenyl]-1-methoxy-1-methylurea
CID 54473679
N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106825950
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
1-(3-hydroxybutyl)-1-methyl-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 111579005

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate?
The IUPAC name of 2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate (CID 20516696) is 2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate?
The canonical SMILES for 2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate is CNC(=O)OCCN(C)C(=O)Nc1cccc(OCC2(C)CC2(Cl)Cl)c1.
What is the InChIKey of 2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate?
The InChIKey is QUQSQNDXXSVBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O4/c1-16(10-17(16,18)19)11-26-13-6-4-5-12(9-13)21-14(23)22(3)7-8-25-15(24)20-2/h4-6,9H,7-8,10-11H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate?
2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate has a molecular weight of 404.29 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2,2-dichloro-1-methylcyclopropyl)methoxy]phenyl]carbamoyl-methylamino]ethyl N-methylcarbamate is sourced from PubChem (CID 20516696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).