ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate

C15H22ClN3O4 — CID 108883684

IUPACethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C15H22ClN3O4/c1-2-22-15(21)19-10-9-18-14(20)17-8-5-11-23-13-7-4-3-6-12(13)16/h3-4,6-7H,2,5,8-11H2,1H3,(H,19,21)(H2,17,18,20)
InChIKeyGKNYVFOTPNIKBS-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.15
Rot. Bonds9

About ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate

ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate (PubChem CID 108883684) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
PubChem CID108883684
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC Nameethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C15H22ClN3O4/c1-2-22-15(21)19-10-9-18-14(20)17-8-5-11-23-13-7-4-3-6-12(13)16/h3-4,6-7H,2,5,8-11H2,1H3,(H,19,21)(H2,17,18,20)
InChIKeyGKNYVFOTPNIKBS-UHFFFAOYSA-N
XLogP2.15
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883686
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
ethyl N-[2-[3-(2,6-dimethylphenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108881896
ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate
CID 108897797
1-[3-(2-chlorophenoxy)propyl]-3-(2-cyanoethyl)urea
CID 108883678
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
1-[3-(2-chlorophenoxy)propyl]-3-(1-hydroxybutan-2-yl)urea
CID 108883517
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
CID 108883382
1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
CID 108883413
1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea
CID 60580427

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate (CID 108883684) is ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate is CCOC(=O)NCCNC(=O)NCCCOc1ccccc1Cl.
What is the InChIKey of ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate?
The InChIKey is GKNYVFOTPNIKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4/c1-2-22-15(21)19-10-9-18-14(20)17-8-5-11-23-13-7-4-3-6-12(13)16/h3-4,6-7H,2,5,8-11H2,1H3,(H,19,21)(H2,17,18,20).
What are the key properties of ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate?
ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate has a molecular weight of 343.81 g/mol, XLogP of 2.15, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate is sourced from PubChem (CID 108883684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).