methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate

C15H20N2O4 — CID 49288381

IUPACmethyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(NC(=O)NCC2CC2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-14(18)8-9-21-13-6-4-12(5-7-13)17-15(19)16-10-11-2-3-11/h4-7,11H,2-3,8-10H2,1H3,(H2,16,17,19)
InChIKeyRUAKDQOIOWXIOC-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.16
Rot. Bonds7

About methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate

methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate (PubChem CID 49288381) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate
PubChem CID49288381
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(NC(=O)NCC2CC2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-14(18)8-9-21-13-6-4-12(5-7-13)17-15(19)16-10-11-2-3-11/h4-7,11H,2-3,8-10H2,1H3,(H2,16,17,19)
InChIKeyRUAKDQOIOWXIOC-UHFFFAOYSA-N
XLogP2.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
CID 125137261
methyl 2-[4-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
CID 125137260
methyl 4-[4-[[(3S)-oxan-3-yl]carbamoylamino]phenoxy]butanoate
CID 95624318
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333
methyl 4-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]butanoate
CID 119784190
2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
CID 55060300
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate?
The IUPAC name of methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate (CID 49288381) is methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate?
The canonical SMILES for methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate is COC(=O)CCOc1ccc(NC(=O)NCC2CC2)cc1.
What is the InChIKey of methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate?
The InChIKey is RUAKDQOIOWXIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-14(18)8-9-21-13-6-4-12(5-7-13)17-15(19)16-10-11-2-3-11/h4-7,11H,2-3,8-10H2,1H3,(H2,16,17,19).
What are the key properties of methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate?
methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate has a molecular weight of 292.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate is sourced from PubChem (CID 49288381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).