ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate

C13H18ClN3O3 — CID 108897797

IUPACethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O3/c1-2-20-13(19)16-8-7-15-12(18)17-9-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,16,19)(H2,15,17,18)
InChIKeyHUVNCSRLPDZWOI-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.89
Rot. Bonds6

About ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate

ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate (PubChem CID 108897797) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate
PubChem CID108897797
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Nameethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O3/c1-2-20-13(19)16-8-7-15-12(18)17-9-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,16,19)(H2,15,17,18)
InChIKeyHUVNCSRLPDZWOI-UHFFFAOYSA-N
XLogP1.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883684
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
CID 108893525
1,2-dichlorobenzene;ethyl N-ethylcarbamate
CID 174679223
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
(E)-N-[(2-chlorophenyl)methyl]-3-ethoxy-3-hydroxyprop-2-enamide
CID 134090198
1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974570
[2-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamic acid
CID 175218190

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate (CID 108897797) is ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate is CCOC(=O)NCCNC(=O)NCc1ccccc1Cl.
What is the InChIKey of ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate?
The InChIKey is HUVNCSRLPDZWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-2-20-13(19)16-8-7-15-12(18)17-9-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,16,19)(H2,15,17,18).
What are the key properties of ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate?
ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate has a molecular weight of 299.76 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate is sourced from PubChem (CID 108897797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).