4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide

C19H23N3O2 — CID 119526891

IUPAC4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-12(2)13-3-5-14(6-4-13)17(20)11-22-19(24)16-9-7-15(8-10-16)18(21)23/h3-10,12,17H,11,20H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyVEGBKIJERLIYFD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.34
Rot. Bonds6

About 4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide

4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 119526891) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
PubChem CID119526891
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-12(2)13-3-5-14(6-4-13)17(20)11-22-19(24)16-9-7-15(8-10-16)18(21)23/h3-10,12,17H,11,20H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyVEGBKIJERLIYFD-UHFFFAOYSA-N
XLogP2.34
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide
CID 119526277
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide
CID 172799117
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
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
CID 103879142
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
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
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide (CID 119526891) is 4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide is CC(C)c1ccc(C(N)CNC(=O)c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is VEGBKIJERLIYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(2)13-3-5-14(6-4-13)17(20)11-22-19(24)16-9-7-15(8-10-16)18(21)23/h3-10,12,17H,11,20H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide?
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 119526891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).