4-amino-N-methyl-N-(4-propylphenyl)benzamide

C17H20N2O — CID 115160987

IUPAC4-amino-N-methyl-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(N(C)C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-3-4-13-5-11-16(12-6-13)19(2)17(20)14-7-9-15(18)10-8-14/h5-12H,3-4,18H2,1-2H3
InChIKeyMCLUSSPTPAXBLS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.50
Rot. Bonds4

About 4-amino-N-methyl-N-(4-propylphenyl)benzamide

4-amino-N-methyl-N-(4-propylphenyl)benzamide (PubChem CID 115160987) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(4-propylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(4-propylphenyl)benzamide
PubChem CID115160987
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-amino-N-methyl-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(N(C)C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-3-4-13-5-11-16(12-6-13)19(2)17(20)14-7-9-15(18)10-8-14/h5-12H,3-4,18H2,1-2H3
InChIKeyMCLUSSPTPAXBLS-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
methyl-(4-propylphenyl)carbamic acid
CID 115170704
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
2-cyano-N-methyl-N-(4-propylphenyl)acetamide
CID 115172956
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline
CID 67658783
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 54795361

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(4-propylphenyl)benzamide?
The IUPAC name of 4-amino-N-methyl-N-(4-propylphenyl)benzamide (CID 115160987) is 4-amino-N-methyl-N-(4-propylphenyl)benzamide.
What is the SMILES notation for 4-amino-N-methyl-N-(4-propylphenyl)benzamide?
The canonical SMILES for 4-amino-N-methyl-N-(4-propylphenyl)benzamide is CCCc1ccc(N(C)C(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-methyl-N-(4-propylphenyl)benzamide?
The InChIKey is MCLUSSPTPAXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-4-13-5-11-16(12-6-13)19(2)17(20)14-7-9-15(18)10-8-14/h5-12H,3-4,18H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(4-propylphenyl)benzamide?
4-amino-N-methyl-N-(4-propylphenyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(4-propylphenyl)benzamide is sourced from PubChem (CID 115160987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).