N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide

C20H25NO5 — CID 15341356

IUPACN-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(C)C(=O)NCCc2cc(O)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5/c1-13(15-5-7-16(24-2)8-6-15)20(23)21-10-9-14-11-17(22)19(26-4)18(12-14)25-3/h5-8,11-13,22H,9-10H2,1-4H3,(H,21,23)
InChIKeyNMKVPPWBIZBDSG-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.88
Rot. Bonds8

About N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide

N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide (PubChem CID 15341356) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide
PubChem CID15341356
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(C)C(=O)NCCc2cc(O)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5/c1-13(15-5-7-16(24-2)8-6-15)20(23)21-10-9-14-11-17(22)19(26-4)18(12-14)25-3/h5-8,11-13,22H,9-10H2,1-4H3,(H,21,23)
InChIKeyNMKVPPWBIZBDSG-UHFFFAOYSA-N
XLogP2.88
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
CID 15341354
5-(3-hydroxy-4,5-dimethoxyphenyl)-2-(4-methoxyphenyl)pentanamide
CID 67845348
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide
CID 2944222
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9372222
5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
CID 171933718
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
(2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide
CID 99816117
2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium
CID 86311037
1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217169
2-amino-N-[2-(3,5-dihydroxy-4-methoxyphenyl)ethyl]-3-hydroxypropanamide
CID 166986947
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide (CID 15341356) is N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide is COc1ccc(C(C)C(=O)NCCc2cc(O)c(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide?
The InChIKey is NMKVPPWBIZBDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-13(15-5-7-16(24-2)8-6-15)20(23)21-10-9-14-11-17(22)19(26-4)18(12-14)25-3/h5-8,11-13,22H,9-10H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide?
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide has a molecular weight of 359.42 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 15341356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).