2-[(3,4,5-trimethoxyphenyl)methyl]butanamide

C14H21NO4 — CID 142078023

IUPAC2-[(3,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCCC(Cc1cc(OC)c(OC)c(OC)c1)C(N)=O
InChIInChI=1S/C14H21NO4/c1-5-10(14(15)16)6-9-7-11(17-2)13(19-4)12(8-9)18-3/h7-8,10H,5-6H2,1-4H3,(H2,15,16)
InChIKeyNOFPABYANNWLRK-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.77
Rot. Bonds7

About 2-[(3,4,5-trimethoxyphenyl)methyl]butanamide

2-[(3,4,5-trimethoxyphenyl)methyl]butanamide (PubChem CID 142078023) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[(3,4,5-trimethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-[(3,4,5-trimethoxyphenyl)methyl]butanamide
PubChem CID142078023
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[(3,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCCC(Cc1cc(OC)c(OC)c(OC)c1)C(N)=O
InChIInChI=1S/C14H21NO4/c1-5-10(14(15)16)6-9-7-11(17-2)13(19-4)12(8-9)18-3/h7-8,10H,5-6H2,1-4H3,(H2,15,16)
InChIKeyNOFPABYANNWLRK-UHFFFAOYSA-N
XLogP1.77
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
CID 116850909
(2R,4S)-2-amino-4-[(3,4,5-trimethoxyphenyl)methyl]pentanedioic acid
CID 11099473
2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide
CID 62901223
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 112508543
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
1-(3,4,5-trimethoxyphenyl)pentan-2-amine
CID 3051170
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
(2S)-2-[(3,4-dimethoxyphenyl)methyl]pent-4-enamide
CID 125467212
2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid
CID 64660777
2-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid
CID 83955719
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methyl]butanamide (CID 142078023) is 2-[(3,4,5-trimethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-[(3,4,5-trimethoxyphenyl)methyl]butanamide is CCC(Cc1cc(OC)c(OC)c(OC)c1)C(N)=O.
What is the InChIKey of 2-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The InChIKey is NOFPABYANNWLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-10(14(15)16)6-9-7-11(17-2)13(19-4)12(8-9)18-3/h7-8,10H,5-6H2,1-4H3,(H2,15,16).
What are the key properties of 2-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
2-[(3,4,5-trimethoxyphenyl)methyl]butanamide has a molecular weight of 267.32 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 142078023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).