N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide

C22H30N2O — CID 46045366

IUPACN-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide
SMILESCC(C)CNC(=O)Cc1ccc(NCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O/c1-16(2)14-24-22(25)13-18-7-11-21(12-8-18)23-15-19-5-9-20(10-6-19)17(3)4/h5-12,16-17,23H,13-15H2,1-4H3,(H,24,25)
InChIKeyKDEHXQCEKZROPQ-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.74
Rot. Bonds8

About N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide

N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide (PubChem CID 46045366) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide
PubChem CID46045366
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide
SMILESCC(C)CNC(=O)Cc1ccc(NCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O/c1-16(2)14-24-22(25)13-18-7-11-21(12-8-18)23-15-19-5-9-20(10-6-19)17(3)4/h5-12,16-17,23H,13-15H2,1-4H3,(H,24,25)
InChIKeyKDEHXQCEKZROPQ-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 46045368
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 110771379
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
2-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 14879850
2-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112605367
2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide
CID 112980356
2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263785

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide (CID 46045366) is N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide is CC(C)CNC(=O)Cc1ccc(NCc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide?
The InChIKey is KDEHXQCEKZROPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-16(2)14-24-22(25)13-18-7-11-21(12-8-18)23-15-19-5-9-20(10-6-19)17(3)4/h5-12,16-17,23H,13-15H2,1-4H3,(H,24,25).
What are the key properties of N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide?
N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide has a molecular weight of 338.50 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 46045366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).