methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate

C24H26N2O5 — CID 70968014

IUPACmethyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate
SMILESCOC(=O)c1c(C)c2cc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc2n1C
InChIInChI=1S/C24H26N2O5/c1-15-20-13-17(8-11-21(20)26(2)22(15)24(28)29-3)25-23(27)16-6-9-18(10-7-16)31-14-19-5-4-12-30-19/h6-11,13,19H,4-5,12,14H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyVWIXYDKWVRQPHY-IBGZPJMESA-N
MW422.48 g/mol
LogP4.08
Rot. Bonds6

About methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate

methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate (PubChem CID 70968014) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate
PubChem CID70968014
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Namemethyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate
SMILESCOC(=O)c1c(C)c2cc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc2n1C
InChIInChI=1S/C24H26N2O5/c1-15-20-13-17(8-11-21(20)26(2)22(15)24(28)29-3)25-23(27)16-6-9-18(10-7-16)31-14-19-5-4-12-30-19/h6-11,13,19H,4-5,12,14H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyVWIXYDKWVRQPHY-IBGZPJMESA-N
XLogP4.08
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate with MolForge

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Related Compounds

4-(cyclopropylmethoxy)benzoic acid;methyl 5-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-dimethylindole-2-carboxylate
CID 161058773
N-[2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1,3-dimethylindol-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 70967935
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
CID 41442893
1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide
CID 131938687
N-[2-[(2,2-dimethylpropylamino)methyl]-1-methylindol-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 70967982
N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222449
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate?
The IUPAC name of methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate (CID 70968014) is methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate.
What is the SMILES notation for methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate?
The canonical SMILES for methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate is COC(=O)c1c(C)c2cc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc2n1C.
What is the InChIKey of methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate?
The InChIKey is VWIXYDKWVRQPHY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N2O5/c1-15-20-13-17(8-11-21(20)26(2)22(15)24(28)29-3)25-23(27)16-6-9-18(10-7-16)31-14-19-5-4-12-30-19/h6-11,13,19H,4-5,12,14H2,1-3H3,(H,25,27)/t19-/m0/s1.
What are the key properties of methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate?
methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate has a molecular weight of 422.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate is sourced from PubChem (CID 70968014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).