methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate

C22H22N2O6 — CID 10835375

IUPACmethyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(CC(=O)CNC(=O)OCc3ccccc3)ccc(OC)c2[nH]1
InChIInChI=1S/C22H22N2O6/c1-28-19-9-8-15(17-11-18(21(26)29-2)24-20(17)19)10-16(25)12-23-22(27)30-13-14-6-4-3-5-7-14/h3-9,11,24H,10,12-13H2,1-2H3,(H,23,27)
InChIKeyDVTIPDACSFEQAQ-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.00
Rot. Bonds8

About methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate

methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate (PubChem CID 10835375) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate
PubChem CID10835375
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Namemethyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(CC(=O)CNC(=O)OCc3ccccc3)ccc(OC)c2[nH]1
InChIInChI=1S/C22H22N2O6/c1-28-19-9-8-15(17-11-18(21(26)29-2)24-20(17)19)10-16(25)12-23-22(27)30-13-14-6-4-3-5-7-14/h3-9,11,24H,10,12-13H2,1-2H3,(H,23,27)
InChIKeyDVTIPDACSFEQAQ-UHFFFAOYSA-N
XLogP3.00
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate with MolForge

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Related Compounds

acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-(2-oxo-3-sulfanylpropyl)carbamate
CID 24832042
benzyl N-(4-methyl-2-oxopent-4-enyl)carbamate
CID 165467188
2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid
CID 95454152
ethyl 4-chloro-7-phenylmethoxy-1H-indole-2-carboxylate
CID 21194186
2-[3-[4-methoxy-3-[[(4-phenylphenyl)methoxycarbonylamino]methyl]phenyl]phenyl]acetic acid
CID 59218875
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256
2-[(4-acetyloxy-3-methoxyphenyl)methoxycarbonylamino]acetic acid
CID 123520978
benzyl N-[2,3-dihydroxy-3-(3,4,5-trimethoxyphenyl)propyl]carbamate
CID 171856816
2-[5-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]-2-methoxyphenyl]acetic acid
CID 171889311
benzyl N-[2-(2-formyl-3,4-dimethoxyphenyl)ethyl]carbamate
CID 10315399
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate?
The IUPAC name of methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate (CID 10835375) is methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate is COC(=O)c1cc2c(CC(=O)CNC(=O)OCc3ccccc3)ccc(OC)c2[nH]1.
What is the InChIKey of methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate?
The InChIKey is DVTIPDACSFEQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-28-19-9-8-15(17-11-18(21(26)29-2)24-20(17)19)10-16(25)12-23-22(27)30-13-14-6-4-3-5-7-14/h3-9,11,24H,10,12-13H2,1-2H3,(H,23,27).
What are the key properties of methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate?
methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate has a molecular weight of 410.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-4-[2-oxo-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 10835375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).