3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide

C19H24N2O — CID 25213074

IUPAC3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
SMILESCC(C)CCNCc1ccc(-c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H24N2O/c1-14(2)10-11-21-13-15-6-8-16(9-7-15)17-4-3-5-18(12-17)19(20)22/h3-9,12,14,21H,10-11,13H2,1-2H3,(H2,20,22)
InChIKeyAPBAIODSKUIMPE-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.59
Rot. Bonds7

About 3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide

3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide (PubChem CID 25213074) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
PubChem CID25213074
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
SMILESCC(C)CCNCc1ccc(-c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H24N2O/c1-14(2)10-11-21-13-15-6-8-16(9-7-15)17-4-3-5-18(12-17)19(20)22/h3-9,12,14,21H,10-11,13H2,1-2H3,(H2,20,22)
InChIKeyAPBAIODSKUIMPE-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622
3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
CID 17206786
3-[4-[[2-(2,4,5-trifluoro-3-methylphenyl)ethylamino]methyl]phenyl]benzamide
CID 87232301
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
CID 111468183
4-[(5-methylhexylamino)methyl]benzamide
CID 79002955
3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride
CID 68604070
4-[[3-[(3-methylbutylamino)methyl]phenoxy]methyl]benzamide
CID 59027099
3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 162324107
3-bromo-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730206
3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 59316493
4-fluoro-3-[2-fluoro-4-[(3-methylbutylamino)methyl]phenyl]benzamide
CID 24946250
3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide
CID 59316443

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide?
The IUPAC name of 3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide (CID 25213074) is 3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide?
The canonical SMILES for 3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide is CC(C)CCNCc1ccc(-c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide?
The InChIKey is APBAIODSKUIMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14(2)10-11-21-13-15-6-8-16(9-7-15)17-4-3-5-18(12-17)19(20)22/h3-9,12,14,21H,10-11,13H2,1-2H3,(H2,20,22).
What are the key properties of 3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide?
3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide has a molecular weight of 296.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 25213074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).