ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate

C15H23N3O4 — CID 108883312

IUPACethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCCCOc1ccccc1
InChIInChI=1S/C15H23N3O4/c1-2-21-15(20)18-11-10-17-14(19)16-9-6-12-22-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,20)(H2,16,17,19)
InChIKeyMVKQZUPIMUCULS-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.50
Rot. Bonds9

About ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate

ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate (PubChem CID 108883312) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
PubChem CID108883312
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nameethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCCCOc1ccccc1
InChIInChI=1S/C15H23N3O4/c1-2-21-15(20)18-11-10-17-14(19)16-9-6-12-22-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,20)(H2,16,17,19)
InChIKeyMVKQZUPIMUCULS-UHFFFAOYSA-N
XLogP1.50
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate 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

ethyl N-[2-[3-(2,6-dimethylphenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108881896
ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883684
1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea
CID 108883305
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
CID 101239228
1-butyl-3-(phenoxymethyl)urea
CID 108888779
(2S)-2-hydroxy-3-(3-phenoxypropylcarbamoylamino)propanoic acid
CID 107839669
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate
CID 108573944
ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
CID 108893525
2-phenylethyl 4-(ethoxycarbonylamino)butanoate
CID 155528257
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate (CID 108883312) is ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate is CCOC(=O)NCCNC(=O)NCCCOc1ccccc1.
What is the InChIKey of ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate?
The InChIKey is MVKQZUPIMUCULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-2-21-15(20)18-11-10-17-14(19)16-9-6-12-22-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,20)(H2,16,17,19).
What are the key properties of ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate?
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 1.50, 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-phenoxypropylcarbamoylamino)ethyl]carbamate is sourced from PubChem (CID 108883312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).