3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide

C18H23N3O — CID 28723656

IUPAC3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C)c(N)c2)cc1
InChIInChI=1S/C18H23N3O/c1-4-21(5-2)16-10-8-15(9-11-16)20-18(22)14-7-6-13(3)17(19)12-14/h6-12H,4-5,19H2,1-3H3,(H,20,22)
InChIKeyRLKYIUVPQGHZAZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.68
Rot. Bonds5

About 3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide

3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide (PubChem CID 28723656) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
PubChem CID28723656
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C)c(N)c2)cc1
InChIInChI=1S/C18H23N3O/c1-4-21(5-2)16-10-8-15(9-11-16)20-18(22)14-7-6-13(3)17(19)12-14/h6-12H,4-5,19H2,1-3H3,(H,20,22)
InChIKeyRLKYIUVPQGHZAZ-UHFFFAOYSA-N
XLogP3.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
2-amino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 63180905
3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
CID 100803507
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
3-N-[4-(diethylamino)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050428
3-amino-N-(3-ethylphenyl)-4-methylbenzamide
CID 16793362
N-[4-(diethylamino)phenyl]-2H-benzotriazole-5-carboxamide
CID 17460824
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
N-[4-(diethylamino)phenyl]-2,4,6-trimethylbenzamide
CID 19167686
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide (CID 28723656) is 3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide is CCN(CC)c1ccc(NC(=O)c2ccc(C)c(N)c2)cc1.
What is the InChIKey of 3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide?
The InChIKey is RLKYIUVPQGHZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-21(5-2)16-10-8-15(9-11-16)20-18(22)14-7-6-13(3)17(19)12-14/h6-12H,4-5,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide?
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide is sourced from PubChem (CID 28723656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).