2-[(3-methoxyphenyl)methyl-methylamino]butanamide

C13H20N2O2 — CID 62899149

IUPAC2-[(3-methoxyphenyl)methyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-4-12(13(14)16)15(2)9-10-6-5-7-11(8-10)17-3/h5-8,12H,4,9H2,1-3H3,(H2,14,16)
InChIKeyURAUCQUQWZNNGB-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.39
Rot. Bonds6

About 2-[(3-methoxyphenyl)methyl-methylamino]butanamide

2-[(3-methoxyphenyl)methyl-methylamino]butanamide (PubChem CID 62899149) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-methylamino]butanamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-methylamino]butanamide
PubChem CID62899149
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(3-methoxyphenyl)methyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-4-12(13(14)16)15(2)9-10-6-5-7-11(8-10)17-3/h5-8,12H,4,9H2,1-3H3,(H2,14,16)
InChIKeyURAUCQUQWZNNGB-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N'-hydroxy-2-[(3-methoxyphenyl)methyl-methylamino]butanimidamide
CID 76915706
ethyl (2S)-2-[(3-methoxyphenyl)methyl-methylamino]-3-phenylpropanoate
CID 99809151
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 61420033
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 65068399
(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
CID 58987433
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62568221
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]butanamide?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]butanamide (CID 62899149) is 2-[(3-methoxyphenyl)methyl-methylamino]butanamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-methylamino]butanamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-methylamino]butanamide is CCC(C(N)=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-methylamino]butanamide?
The InChIKey is URAUCQUQWZNNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-12(13(14)16)15(2)9-10-6-5-7-11(8-10)17-3/h5-8,12H,4,9H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(3-methoxyphenyl)methyl-methylamino]butanamide?
2-[(3-methoxyphenyl)methyl-methylamino]butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-methylamino]butanamide is sourced from PubChem (CID 62899149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).