methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate

C14H20N2O4 — CID 60969496

IUPACmethyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H20N2O4/c1-4-9-16(10-13(17)20-3)14(18)15-11-5-7-12(19-2)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyXETAFOFPSVJIRO-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.11
Rot. Bonds6

About methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate

methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate (PubChem CID 60969496) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
PubChem CID60969496
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H20N2O4/c1-4-9-16(10-13(17)20-3)14(18)15-11-5-7-12(19-2)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyXETAFOFPSVJIRO-UHFFFAOYSA-N
XLogP2.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
CID 55006210
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078
2-[4-(dipropylcarbamoylamino)phenoxy]acetic acid
CID 63770820
4-N-(4-methoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090576
1,1-bis(cyanomethyl)-3-(4-methoxyphenyl)urea
CID 51050088
methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
CID 3689635
1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980280
5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157676
3-(4-aminophenyl)-1,1-dipropylurea
CID 43468918
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate?
The IUPAC name of methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate (CID 60969496) is methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate is CCCN(CC(=O)OC)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate?
The InChIKey is XETAFOFPSVJIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-9-16(10-13(17)20-3)14(18)15-11-5-7-12(19-2)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,15,18).
What are the key properties of methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate?
methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate has a molecular weight of 280.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate is sourced from PubChem (CID 60969496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).