4-[(2-methylbutylamino)methyl]benzamide

C13H20N2O — CID 62693490

IUPAC4-[(2-methylbutylamino)methyl]benzamide
SMILESCCC(C)CNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-3-10(2)8-15-9-11-4-6-12(7-5-11)13(14)16/h4-7,10,15H,3,8-9H2,1-2H3,(H2,14,16)
InChIKeyLFZWEMVBERQPRW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.92
Rot. Bonds6

About 4-[(2-methylbutylamino)methyl]benzamide

4-[(2-methylbutylamino)methyl]benzamide (PubChem CID 62693490) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[(2-methylbutylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-methylbutylamino)methyl]benzamide
PubChem CID62693490
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-[(2-methylbutylamino)methyl]benzamide
SMILESCCC(C)CNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-3-10(2)8-15-9-11-4-6-12(7-5-11)13(14)16/h4-7,10,15H,3,8-9H2,1-2H3,(H2,14,16)
InChIKeyLFZWEMVBERQPRW-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
4-[(5-methylhexylamino)methyl]benzamide
CID 79002955
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
4-[[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111891794
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide
CID 51086143
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 43232712
4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
CID 103741169
4-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]benzamide
CID 113409672
4-[(3-ethylpentan-3-ylamino)methyl]benzamide
CID 65039687

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbutylamino)methyl]benzamide?
The IUPAC name of 4-[(2-methylbutylamino)methyl]benzamide (CID 62693490) is 4-[(2-methylbutylamino)methyl]benzamide.
What is the SMILES notation for 4-[(2-methylbutylamino)methyl]benzamide?
The canonical SMILES for 4-[(2-methylbutylamino)methyl]benzamide is CCC(C)CNCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-methylbutylamino)methyl]benzamide?
The InChIKey is LFZWEMVBERQPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-10(2)8-15-9-11-4-6-12(7-5-11)13(14)16/h4-7,10,15H,3,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 4-[(2-methylbutylamino)methyl]benzamide?
4-[(2-methylbutylamino)methyl]benzamide has a molecular weight of 220.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbutylamino)methyl]benzamide is sourced from PubChem (CID 62693490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).