4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide

C22H30N2O — CID 18124565

IUPAC4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide
SMILESCC(C)C(NCc1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H30N2O/c1-15(2)20(17-10-12-19(13-11-17)22(3,4)5)24-14-16-6-8-18(9-7-16)21(23)25/h6-13,15,20,24H,14H2,1-5H3,(H2,23,25)
InChIKeyOAVYLRPVVRENRX-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.57
Rot. Bonds6

About 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide

4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide (PubChem CID 18124565) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide
PubChem CID18124565
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide
SMILESCC(C)C(NCc1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H30N2O/c1-15(2)20(17-10-12-19(13-11-17)22(3,4)5)24-14-16-6-8-18(9-7-16)21(23)25/h6-13,15,20,24H,14H2,1-5H3,(H2,23,25)
InChIKeyOAVYLRPVVRENRX-UHFFFAOYSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide
CID 34716636
4-[[(2S)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]amino]benzamide
CID 9129619
2-[(4-tert-butylphenyl)methylamino]propanoic acid
CID 43467143
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide
CID 103700904
methyl (2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutanoate
CID 43386442
4-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]benzoic acid
CID 124594633
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 60674315
4-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]methyl]benzoic acid
CID 106344350
(2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 79253395
4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
CID 43791628

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide?
The IUPAC name of 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide (CID 18124565) is 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide is CC(C)C(NCc1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide?
The InChIKey is OAVYLRPVVRENRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-15(2)20(17-10-12-19(13-11-17)22(3,4)5)24-14-16-6-8-18(9-7-16)21(23)25/h6-13,15,20,24H,14H2,1-5H3,(H2,23,25).
What are the key properties of 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide?
4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide has a molecular weight of 338.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide is sourced from PubChem (CID 18124565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).