2-[methyl-[(2-methylphenyl)methyl]amino]butanamide

C13H20N2O — CID 55211748

IUPAC2-[methyl-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1ccccc1C
InChIInChI=1S/C13H20N2O/c1-4-12(13(14)16)15(3)9-11-8-6-5-7-10(11)2/h5-8,12H,4,9H2,1-3H3,(H2,14,16)
InChIKeyCXJONLRXHYKIER-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.69
Rot. Bonds5

About 2-[methyl-[(2-methylphenyl)methyl]amino]butanamide

2-[methyl-[(2-methylphenyl)methyl]amino]butanamide (PubChem CID 55211748) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[methyl-[(2-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound Name2-[methyl-[(2-methylphenyl)methyl]amino]butanamide
PubChem CID55211748
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[methyl-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1ccccc1C
InChIInChI=1S/C13H20N2O/c1-4-12(13(14)16)15(3)9-11-8-6-5-7-10(11)2/h5-8,12H,4,9H2,1-3H3,(H2,14,16)
InChIKeyCXJONLRXHYKIER-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
(2S)-2-[ethyl-[(2-methylphenyl)methyl]amino]butanoic acid
CID 129401479
3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
CID 55214054
2-[2-[(1-amino-1-oxobutan-2-yl)-methylamino]ethyl]benzoic acid
CID 113425715
4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
CID 63585520
4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine
CID 64706789
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine
CID 61411459
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
2-[(3-methoxyphenyl)methyl-methylamino]butanamide
CID 62899149

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]butanamide?
The IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]butanamide (CID 55211748) is 2-[methyl-[(2-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for 2-[methyl-[(2-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for 2-[methyl-[(2-methylphenyl)methyl]amino]butanamide is CCC(C(N)=O)N(C)Cc1ccccc1C.
What is the InChIKey of 2-[methyl-[(2-methylphenyl)methyl]amino]butanamide?
The InChIKey is CXJONLRXHYKIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-12(13(14)16)15(3)9-11-8-6-5-7-10(11)2/h5-8,12H,4,9H2,1-3H3,(H2,14,16).
What are the key properties of 2-[methyl-[(2-methylphenyl)methyl]amino]butanamide?
2-[methyl-[(2-methylphenyl)methyl]amino]butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 55211748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).