2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

C23H31N3O — CID 120669594

IUPAC2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCc2ccccc2CN2CCC(C)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-17-7-9-19(10-8-17)22(24)23(27)25-15-20-5-3-4-6-21(20)16-26-13-11-18(2)12-14-26/h3-10,18,22H,11-16,24H2,1-2H3,(H,25,27)
InChIKeyNWXBHJVPKWLNAK-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.54
Rot. Bonds6

About 2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 120669594) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID120669594
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCc2ccccc2CN2CCC(C)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-17-7-9-19(10-8-17)22(24)23(27)25-15-20-5-3-4-6-21(20)16-26-13-11-18(2)12-14-26/h3-10,18,22H,11-16,24H2,1-2H3,(H,25,27)
InChIKeyNWXBHJVPKWLNAK-UHFFFAOYSA-N
XLogP3.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
2-amino-2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 119845143
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
4-bromo-5-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885338
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106312443
2-methyl-1-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110915687
2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669979
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylacetamide
CID 56505304

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (CID 120669594) is 2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is Cc1ccc(C(N)C(=O)NCc2ccccc2CN2CCC(C)CC2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is NWXBHJVPKWLNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17-7-9-19(10-8-17)22(24)23(27)25-15-20-5-3-4-6-21(20)16-26-13-11-18(2)12-14-26/h3-10,18,22H,11-16,24H2,1-2H3,(H,25,27).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 365.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 120669594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).