N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide

C19H24N2O — CID 112980500

IUPACN-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide
SMILESCCC(C)Nc1ccc(NC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-4-15(3)20-17-8-10-18(11-9-17)21-19(22)13-16-7-5-6-14(2)12-16/h5-12,15,20H,4,13H2,1-3H3,(H,21,22)
InChIKeyBQVURSPJLJULRV-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.39
Rot. Bonds6

About N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide

N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide (PubChem CID 112980500) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide
PubChem CID112980500
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide
SMILESCCC(C)Nc1ccc(NC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-4-15(3)20-17-8-10-18(11-9-17)21-19(22)13-16-7-5-6-14(2)12-16/h5-12,15,20H,4,13H2,1-3H3,(H,21,22)
InChIKeyBQVURSPJLJULRV-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112985121
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
CID 112979742
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108933173
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
N-[2-(4-ethylanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996808
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide (CID 112980500) is N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide is CCC(C)Nc1ccc(NC(=O)Cc2cccc(C)c2)cc1.
What is the InChIKey of N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide?
The InChIKey is BQVURSPJLJULRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-15(3)20-17-8-10-18(11-9-17)21-19(22)13-16-7-5-6-14(2)12-16/h5-12,15,20H,4,13H2,1-3H3,(H,21,22).
What are the key properties of N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide?
N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 112980500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).