methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate

C26H35NO7 — CID 138559061

IUPACmethyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate
SMILESCOC(=O)CCCCN(CCCc1ccccc1)C(=O)c1cc(OC)c(OCCO)c(OC)c1
InChIInChI=1S/C26H35NO7/c1-31-22-18-21(19-23(32-2)25(22)34-17-16-28)26(30)27(14-8-7-13-24(29)33-3)15-9-12-20-10-5-4-6-11-20/h4-6,10-11,18-19,28H,7-9,12-17H2,1-3H3
InChIKeyODGOCMVGJIBAPC-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.49
Rot. Bonds15

About methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate

methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate (PubChem CID 138559061) has the molecular formula C26H35NO7 and a molecular weight of 473.57 g/mol. Its IUPAC name is methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate
PubChem CID138559061
Molecular FormulaC26H35NO7
Molecular Weight473.57 g/mol
Exact Mass473.24
IUPAC Namemethyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate
SMILESCOC(=O)CCCCN(CCCc1ccccc1)C(=O)c1cc(OC)c(OCCO)c(OC)c1
InChIInChI=1S/C26H35NO7/c1-31-22-18-21(19-23(32-2)25(22)34-17-16-28)26(30)27(14-8-7-13-24(29)33-3)15-9-12-20-10-5-4-6-11-20/h4-6,10-11,18-19,28H,7-9,12-17H2,1-3H3
InChIKeyODGOCMVGJIBAPC-UHFFFAOYSA-N
XLogP3.49
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate
CID 131988415
5-[(4-fluoro-3-methoxybenzoyl)-(3-phenylpropyl)amino]pentanoic acid
CID 131988227
4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]benzoic acid
CID 66774944
2-[4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]phenyl]acetic acid
CID 66775075
2-[3-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]phenoxy]acetic acid
CID 66775227
methyl 6-[benzoylcarbamoyl(3-phenylpropyl)amino]hexanoate
CID 59687104
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
3,5-dimethoxy-4-methyl-N-[5-oxo-5-(pyridin-2-ylsulfonylamino)pentyl]-N-(3-phenylpropyl)benzamide
CID 131988304
3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide
CID 131988337
N-(2-hydroxyethyl)-3-methoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 111122063
2-[4-[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]phenyl]benzoic acid
CID 66775343
1-N,3-N-bis[3-(dimethylamino)propyl]-5-methoxy-4-(6-phenylhexoxy)benzene-1,3-dicarboxamide
CID 19930259

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate?
The IUPAC name of methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate (CID 138559061) is methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate.
What is the SMILES notation for methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate?
The canonical SMILES for methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate is COC(=O)CCCCN(CCCc1ccccc1)C(=O)c1cc(OC)c(OCCO)c(OC)c1.
What is the InChIKey of methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate?
The InChIKey is ODGOCMVGJIBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO7/c1-31-22-18-21(19-23(32-2)25(22)34-17-16-28)26(30)27(14-8-7-13-24(29)33-3)15-9-12-20-10-5-4-6-11-20/h4-6,10-11,18-19,28H,7-9,12-17H2,1-3H3.
What are the key properties of methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate?
methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate has a molecular weight of 473.57 g/mol, XLogP of 3.49, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate is sourced from PubChem (CID 138559061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).