ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate

C15H22N2O4 — CID 61021199

IUPACethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Nc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C15H22N2O4/c1-5-21-14(18)10-17(11(2)3)15(19)16-12-6-8-13(20-4)9-7-12/h6-9,11H,5,10H2,1-4H3,(H,16,19)
InChIKeyBXSHESHDNCNPFI-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.50
Rot. Bonds6

About ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate

ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate (PubChem CID 61021199) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate
PubChem CID61021199
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Nc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C15H22N2O4/c1-5-21-14(18)10-17(11(2)3)15(19)16-12-6-8-13(20-4)9-7-12/h6-9,11H,5,10H2,1-4H3,(H,16,19)
InChIKeyBXSHESHDNCNPFI-UHFFFAOYSA-N
XLogP2.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate
CID 42697968
1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea
CID 55151509
1-[(2E)-2-benzylideneheptyl]-3-(4-methoxyphenyl)-1-propan-2-ylurea
CID 42700321
ethyl 2-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 9445287
methyl 2-[(3-chloro-4-methylphenyl)carbamoyl-propan-2-ylamino]acetate
CID 60970548
methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
CID 60969496
ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate
CID 47526880
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
3-(4-methoxyphenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea
CID 3629424
ethyl 3-(N-(2-ethoxy-2-oxoethyl)-4-methoxyanilino)-3-oxopropanoate
CID 46398234
(2S)-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 7406072
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate (CID 61021199) is ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)Nc1ccc(OC)cc1)C(C)C.
What is the InChIKey of ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate?
The InChIKey is BXSHESHDNCNPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-21-14(18)10-17(11(2)3)15(19)16-12-6-8-13(20-4)9-7-12/h6-9,11H,5,10H2,1-4H3,(H,16,19).
What are the key properties of ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate?
ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate has a molecular weight of 294.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate is sourced from PubChem (CID 61021199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).