3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide

C14H22N2O3 — CID 104580454

IUPAC3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide
SMILESCOc1ccc(OC)c(CNC(C)(C)CC(N)=O)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,8-13(15)17)16-9-10-7-11(18-3)5-6-12(10)19-4/h5-7,16H,8-9H2,1-4H3,(H2,15,17)
InChIKeyQYRHYBDBCYPCDT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.45
Rot. Bonds7

About 3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide

3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide (PubChem CID 104580454) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide
PubChem CID104580454
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide
SMILESCOc1ccc(OC)c(CNC(C)(C)CC(N)=O)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,8-13(15)17)16-9-10-7-11(18-3)5-6-12(10)19-4/h5-7,16H,8-9H2,1-4H3,(H2,15,17)
InChIKeyQYRHYBDBCYPCDT-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methylamino]-3-methylbutanoic acid
CID 166241104
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide
CID 106095993
1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110774827
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897564
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222214
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119607035

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide (CID 104580454) is 3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide is COc1ccc(OC)c(CNC(C)(C)CC(N)=O)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide?
The InChIKey is QYRHYBDBCYPCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,8-13(15)17)16-9-10-7-11(18-3)5-6-12(10)19-4/h5-7,16H,8-9H2,1-4H3,(H2,15,17).
What are the key properties of 3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide?
3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 104580454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).