4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide

C18H22N2O — CID 43702118

IUPAC4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-3-13(2)15-8-10-17(11-9-15)20-18(21)16-6-4-14(12-19)5-7-16/h4-11,13H,3,12,19H2,1-2H3,(H,20,21)
InChIKeyJTGBQTXJZHBDTD-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.91
Rot. Bonds5

About 4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide

4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide (PubChem CID 43702118) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
PubChem CID43702118
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-3-13(2)15-8-10-17(11-9-15)20-18(21)16-6-4-14(12-19)5-7-16/h4-11,13H,3,12,19H2,1-2H3,(H,20,21)
InChIKeyJTGBQTXJZHBDTD-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9270671
N-[4-[(2R)-butan-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 2461107
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
3-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 5224241
3-amino-N-(4-butan-2-ylphenyl)benzamide
CID 20667037
2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
CID 114325764
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-butan-2-ylbenzohydrazide
CID 83386529

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide (CID 43702118) is 4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide is CCC(C)c1ccc(NC(=O)c2ccc(CN)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide?
The InChIKey is JTGBQTXJZHBDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-13(2)15-8-10-17(11-9-15)20-18(21)16-6-4-14(12-19)5-7-16/h4-11,13H,3,12,19H2,1-2H3,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide?
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide is sourced from PubChem (CID 43702118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).