prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate

C16H22N2O4 — CID 108571580

IUPACprop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C16H22N2O4/c1-4-9-21-16(20)18-8-7-17-15(19)11-22-14-6-5-12(2)10-13(14)3/h4-6,10H,1,7-9,11H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyYKDPSGWDOMLVBX-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.71
Rot. Bonds8

About prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate

prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate (PubChem CID 108571580) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
PubChem CID108571580
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameprop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C16H22N2O4/c1-4-9-21-16(20)18-8-7-17-15(19)11-22-14-6-5-12(2)10-13(14)3/h4-6,10H,1,7-9,11H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyYKDPSGWDOMLVBX-UHFFFAOYSA-N
XLogP1.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108539806
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 38427451
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride
CID 119548927
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108539406
prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 127503444

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate (CID 108571580) is prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate is C=CCOC(=O)NCCNC(=O)COc1ccc(C)cc1C.
What is the InChIKey of prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
The InChIKey is YKDPSGWDOMLVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-9-21-16(20)18-8-7-17-15(19)11-22-14-6-5-12(2)10-13(14)3/h4-6,10H,1,7-9,11H2,2-3H3,(H,17,19)(H,18,20).
What are the key properties of prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate has a molecular weight of 306.36 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 108571580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).