methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate

C19H18N2O3 — CID 23458848

IUPACmethyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(-n2ccc3ccccc32)cc1)NC=O
InChIInChI=1S/C19H18N2O3/c1-24-19(23)17(20-13-22)12-14-6-8-16(9-7-14)21-11-10-15-4-2-3-5-18(15)21/h2-11,13,17H,12H2,1H3,(H,20,22)
InChIKeyBUCPNGHYSRKKCC-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.46
Rot. Bonds6

About methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate

methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate (PubChem CID 23458848) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate
PubChem CID23458848
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(-n2ccc3ccccc32)cc1)NC=O
InChIInChI=1S/C19H18N2O3/c1-24-19(23)17(20-13-22)12-14-6-8-16(9-7-14)21-11-10-15-4-2-3-5-18(15)21/h2-11,13,17H,12H2,1H3,(H,20,22)
InChIKeyBUCPNGHYSRKKCC-UHFFFAOYSA-N
XLogP2.46
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-formamido-3-(4-pyrrol-1-ylphenyl)propanoate
CID 13021406
methyl 2-formamido-3-phenylpropanoate
CID 595529
ethane;methyl 2-formamido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
CID 143275907
methyl 3-(4-butoxyphenyl)-2-formamidopropanoate
CID 90060303
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
2-formamido-3-(4-pyrrol-1-ylphenyl)propanoic acid
CID 23458844
1-[4-(chloromethyl)phenyl]indole
CID 13021305
methyl (2S)-3-(4-hydroxyphenyl)-2-(3-oxoprop-1-enylamino)propanoate
CID 131859284
methyl (2S)-2-acetamido-3-(4-pyrrol-1-ylphenyl)propanoate
CID 45357069
methyl 2-formamido-3-(3-nitrophenyl)propanoate
CID 23458865
methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate
CID 175819788
5-O-benzyl 1-O-methyl 2-formamidopentanedioate
CID 143275903

Frequently Asked Questions

What is the IUPAC name of methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate?
The IUPAC name of methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate (CID 23458848) is methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate.
What is the SMILES notation for methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate?
The canonical SMILES for methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate is COC(=O)C(Cc1ccc(-n2ccc3ccccc32)cc1)NC=O.
What is the InChIKey of methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate?
The InChIKey is BUCPNGHYSRKKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-24-19(23)17(20-13-22)12-14-6-8-16(9-7-14)21-11-10-15-4-2-3-5-18(15)21/h2-11,13,17H,12H2,1H3,(H,20,22).
What are the key properties of methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate?
methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate has a molecular weight of 322.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate is sourced from PubChem (CID 23458848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).