methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate

C15H22N2O4 — CID 4043344

IUPACmethyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)NCc1ccccc1OC)C(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)13(14(18)21-4)17-15(19)16-9-11-7-5-6-8-12(11)20-3/h5-8,10,13H,9H2,1-4H3,(H2,16,17,19)
InChIKeyONSAXCWADMPSDI-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.69
Rot. Bonds6

About methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate

methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate (PubChem CID 4043344) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate
PubChem CID4043344
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)NCc1ccccc1OC)C(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)13(14(18)21-4)17-15(19)16-9-11-7-5-6-8-12(11)20-3/h5-8,10,13H,9H2,1-4H3,(H2,16,17,19)
InChIKeyONSAXCWADMPSDI-UHFFFAOYSA-N
XLogP1.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
(2S,3S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 40614014
methyl (2S)-2-(benzylcarbamoylamino)-3-methylbutanoate
CID 2002081
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide
CID 94178980
methyl (2S,3S)-3-hydroxy-2-[(2-methoxyphenyl)methylamino]butanoate
CID 99791945
methyl 3-methyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate
CID 3741090
4-amino-2-[(2-methoxyphenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 61181353
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 60541279
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate (CID 4043344) is methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate is COC(=O)C(NC(=O)NCc1ccccc1OC)C(C)C.
What is the InChIKey of methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate?
The InChIKey is ONSAXCWADMPSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)13(14(18)21-4)17-15(19)16-9-11-7-5-6-8-12(11)20-3/h5-8,10,13H,9H2,1-4H3,(H2,16,17,19).
What are the key properties of methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate?
methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate has a molecular weight of 294.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate is sourced from PubChem (CID 4043344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).