3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide

C13H20N2O2 — CID 54868521

IUPAC3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCOc1ccc(CN(C)C(=O)CC(C)N)cc1
InChIInChI=1S/C13H20N2O2/c1-10(14)8-13(16)15(2)9-11-4-6-12(17-3)7-5-11/h4-7,10H,8-9,14H2,1-3H3
InChIKeyIVLCTROGRRKYNO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.39
Rot. Bonds5

About 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide

3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 54868521) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
PubChem CID54868521
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCOc1ccc(CN(C)C(=O)CC(C)N)cc1
InChIInChI=1S/C13H20N2O2/c1-10(14)8-13(16)15(2)9-11-4-6-12(17-3)7-5-11/h4-7,10H,8-9,14H2,1-3H3
InChIKeyIVLCTROGRRKYNO-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
CID 60963572
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
5-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012231
3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 120873575
2-amino-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120666613
3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
CID 115154407
4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 80542826
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107024320

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide (CID 54868521) is 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide is COc1ccc(CN(C)C(=O)CC(C)N)cc1.
What is the InChIKey of 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is IVLCTROGRRKYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(14)8-13(16)15(2)9-11-4-6-12(17-3)7-5-11/h4-7,10H,8-9,14H2,1-3H3.
What are the key properties of 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 54868521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).