methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate

C25H30N2O4 — CID 7411908

IUPACmethyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate
SMILESCOCCN(Cc1ccccc1C(=O)OC)Cc1cccn1Cc1cccc(OC)c1
InChIInChI=1S/C25H30N2O4/c1-29-15-14-26(18-21-9-4-5-12-24(21)25(28)31-3)19-22-10-7-13-27(22)17-20-8-6-11-23(16-20)30-2/h4-13,16H,14-15,17-19H2,1-3H3
InChIKeyQGCSBEJOKKGUOH-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.98
Rot. Bonds11

About methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate

methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate (PubChem CID 7411908) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate
PubChem CID7411908
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Namemethyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate
SMILESCOCCN(Cc1ccccc1C(=O)OC)Cc1cccn1Cc1cccc(OC)c1
InChIInChI=1S/C25H30N2O4/c1-29-15-14-26(18-21-9-4-5-12-24(21)25(28)31-3)19-22-10-7-13-27(22)17-20-8-6-11-23(16-20)30-2/h4-13,16H,14-15,17-19H2,1-3H3
InChIKeyQGCSBEJOKKGUOH-UHFFFAOYSA-N
XLogP3.98
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate with MolForge

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Related Compounds

methyl 2-[[3-methoxypropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate
CID 7287502
(2R)-1-[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]hex-5-en-2-ol
CID 7415804
methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
CID 82969793
N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 5219910
2-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 4556688
1-methoxy-3-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 42794946
N-benzyl-3-methoxy-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3975484
N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]dodecanamide
CID 4221112
2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762993
3,5-dimethoxy-N-(2-methoxyethyl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5110033
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 5026645
N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
CID 42795101

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate?
The IUPAC name of methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate (CID 7411908) is methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate is COCCN(Cc1ccccc1C(=O)OC)Cc1cccn1Cc1cccc(OC)c1.
What is the InChIKey of methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate?
The InChIKey is QGCSBEJOKKGUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-29-15-14-26(18-21-9-4-5-12-24(21)25(28)31-3)19-22-10-7-13-27(22)17-20-8-6-11-23(16-20)30-2/h4-13,16H,14-15,17-19H2,1-3H3.
What are the key properties of methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate?
methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate has a molecular weight of 422.53 g/mol, XLogP of 3.98, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate is sourced from PubChem (CID 7411908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).