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

C20H26N2O — CID 112985121

IUPACN-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(NCCC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-15(2)11-12-21-18-7-9-19(10-8-18)22-20(23)14-17-6-4-5-16(3)13-17/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23)
InChIKeyVPDMKCWVHQNWKI-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.63
Rot. Bonds7

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

N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide (PubChem CID 112985121) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide
PubChem CID112985121
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(NCCC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-15(2)11-12-21-18-7-9-19(10-8-18)22-20(23)14-17-6-4-5-16(3)13-17/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23)
InChIKeyVPDMKCWVHQNWKI-UHFFFAOYSA-N
XLogP4.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
CID 112979742
N-[4-(3-methylbutylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 112985122
N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112980500
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108933173
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-2-(3-methylphenyl)acetamide
CID 112983600
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828
2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide
CID 112985099
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide
CID 112986781

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide (CID 112985121) is N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(NCCC(C)C)cc2)c1.
What is the InChIKey of N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide?
The InChIKey is VPDMKCWVHQNWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)11-12-21-18-7-9-19(10-8-18)22-20(23)14-17-6-4-5-16(3)13-17/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23).
What are the key properties of N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide?
N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide has a molecular weight of 310.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 112985121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).