N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide

C21H26N2O2 — CID 119526547

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
SMILESCCC(=O)c1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-4-20(24)17-9-11-18(12-10-17)21(25)23-13-19(22)16-7-5-15(6-8-16)14(2)3/h5-12,14,19H,4,13,22H2,1-3H3,(H,23,25)
InChIKeyWWVWOKILJUNZGU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.83
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide (PubChem CID 119526547) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
PubChem CID119526547
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
SMILESCCC(=O)c1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-4-20(24)17-9-11-18(12-10-17)21(25)23-13-19(22)16-7-5-15(6-8-16)14(2)3/h5-12,14,19H,4,13,22H2,1-3H3,(H,23,25)
InChIKeyWWVWOKILJUNZGU-UHFFFAOYSA-N
XLogP3.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide
CID 119526277
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 119526705
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
CID 103879142
2-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525343
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119525966
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 119526669
methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate
CID 164863189
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 119525543

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide (CID 119526547) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide is CCC(=O)c1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide?
The InChIKey is WWVWOKILJUNZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-20(24)17-9-11-18(12-10-17)21(25)23-13-19(22)16-7-5-15(6-8-16)14(2)3/h5-12,14,19H,4,13,22H2,1-3H3,(H,23,25).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide is sourced from PubChem (CID 119526547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).