4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide

C18H22N2O — CID 43713071

IUPAC4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(N)c(C)c2)c1
InChIInChI=1S/C18H22N2O/c1-11-5-6-12(2)16(9-11)14(4)20-18(21)15-7-8-17(19)13(3)10-15/h5-10,14H,19H2,1-4H3,(H,20,21)
InChIKeyVIHIVFZAQCJFIW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.69
Rot. Bonds3

About 4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide

4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide (PubChem CID 43713071) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
PubChem CID43713071
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(N)c(C)c2)c1
InChIInChI=1S/C18H22N2O/c1-11-5-6-12(2)16(9-11)14(4)20-18(21)15-7-8-17(19)13(3)10-15/h5-10,14H,19H2,1-4H3,(H,20,21)
InChIKeyVIHIVFZAQCJFIW-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704928
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327144
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81361437
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-iodobenzamide
CID 95356346
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 63110602

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide?
The IUPAC name of 4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide (CID 43713071) is 4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide?
The canonical SMILES for 4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide is Cc1ccc(C)c(C(C)NC(=O)c2ccc(N)c(C)c2)c1.
What is the InChIKey of 4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide?
The InChIKey is VIHIVFZAQCJFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11-5-6-12(2)16(9-11)14(4)20-18(21)15-7-8-17(19)13(3)10-15/h5-10,14H,19H2,1-4H3,(H,20,21).
What are the key properties of 4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide?
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 43713071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).