4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide

C18H22N2O — CID 60658050

IUPAC4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
SMILESCC(C)c1ccc(CNCc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-13(2)16-7-3-14(4-8-16)11-20-12-15-5-9-17(10-6-15)18(19)21/h3-10,13,20H,11-12H2,1-2H3,(H2,19,21)
InChIKeyPZFRCHJTOPOFMT-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.20
Rot. Bonds6

About 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide

4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide (PubChem CID 60658050) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
PubChem CID60658050
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
SMILESCC(C)c1ccc(CNCc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-13(2)16-7-3-14(4-8-16)11-20-12-15-5-9-17(10-6-15)18(19)21/h3-10,13,20H,11-12H2,1-2H3,(H2,19,21)
InChIKeyPZFRCHJTOPOFMT-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62693490
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CID 60863561
4-[(5-methylhexylamino)methyl]benzamide
CID 79002955
4-[[2-(4-propan-2-ylphenyl)ethylamino]methyl]benzoic acid
CID 122030006
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide
CID 25072993
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-[(furan-3-ylmethylamino)methyl]benzamide
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4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide?
The IUPAC name of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide (CID 60658050) is 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide is CC(C)c1ccc(CNCc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide?
The InChIKey is PZFRCHJTOPOFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)16-7-3-14(4-8-16)11-20-12-15-5-9-17(10-6-15)18(19)21/h3-10,13,20H,11-12H2,1-2H3,(H2,19,21).
What are the key properties of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide?
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide is sourced from PubChem (CID 60658050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).