N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane

C21H28N2O2 — CID 144512975

IUPACN-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
SMILESCC(C)C.CC(C)C(=O)c1ccc(C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C17H18N2O2.C4H10/c1-11(2)16(20)12-3-5-13(6-4-12)17(21)19-15-9-7-14(18)8-10-15;1-4(2)3/h3-11H,18H2,1-2H3,(H,19,21);4H,1-3H3
InChIKeyUGMCWKYRKWKPCU-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.02
Rot. Bonds4

About N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane

N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane (PubChem CID 144512975) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
PubChem CID144512975
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
SMILESCC(C)C.CC(C)C(=O)c1ccc(C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C17H18N2O2.C4H10/c1-11(2)16(20)12-3-5-13(6-4-12)17(21)19-15-9-7-14(18)8-10-15;1-4(2)3/h3-11H,18H2,1-2H3,(H,19,21);4H,1-3H3
InChIKeyUGMCWKYRKWKPCU-UHFFFAOYSA-N
XLogP5.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
N-(4-aminophenyl)benzamide;ethane;ethene
CID 144544387
4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane
CID 145495797
4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
CID 150367219
N-(4-aminophenyl)-4-ethenylbenzamide
CID 13082944
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane?
The IUPAC name of N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane (CID 144512975) is N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane.
What is the SMILES notation for N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane?
The canonical SMILES for N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane is CC(C)C.CC(C)C(=O)c1ccc(C(=O)Nc2ccc(N)cc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane?
The InChIKey is UGMCWKYRKWKPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.C4H10/c1-11(2)16(20)12-3-5-13(6-4-12)17(21)19-15-9-7-14(18)8-10-15;1-4(2)3/h3-11H,18H2,1-2H3,(H,19,21);4H,1-3H3.
What are the key properties of N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane?
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane has a molecular weight of 340.47 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane is sourced from PubChem (CID 144512975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).