methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate

C17H25NO5 — CID 110476823

IUPACmethyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate
SMILESCCC(CC(=O)OC)NC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H25NO5/c1-5-13(11-17(20)23-4)18-16(19)9-7-12-6-8-14(21-2)15(10-12)22-3/h6,8,10,13H,5,7,9,11H2,1-4H3,(H,18,19)
InChIKeyLBDCBZONGRPWPT-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.09
Rot. Bonds9

About methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate

methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate (PubChem CID 110476823) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate
PubChem CID110476823
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Namemethyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate
SMILESCCC(CC(=O)OC)NC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H25NO5/c1-5-13(11-17(20)23-4)18-16(19)9-7-12-6-8-14(21-2)15(10-12)22-3/h6,8,10,13H,5,7,9,11H2,1-4H3,(H,18,19)
InChIKeyLBDCBZONGRPWPT-UHFFFAOYSA-N
XLogP2.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate
CID 110476824
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055
methyl 3-[3-(4-tert-butylphenyl)propanoylamino]pentanoate
CID 112533178
methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate
CID 112533174
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate
CID 82351429
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
methyl 4-(3,4-dimethoxyphenyl)-3-(propylamino)butanoate
CID 82351427

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate?
The IUPAC name of methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate (CID 110476823) is methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate.
What is the SMILES notation for methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate?
The canonical SMILES for methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate is CCC(CC(=O)OC)NC(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate?
The InChIKey is LBDCBZONGRPWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-5-13(11-17(20)23-4)18-16(19)9-7-12-6-8-14(21-2)15(10-12)22-3/h6,8,10,13H,5,7,9,11H2,1-4H3,(H,18,19).
What are the key properties of methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate?
methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate has a molecular weight of 323.39 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate is sourced from PubChem (CID 110476823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).