N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide

C20H26N2O — CID 87001037

IUPACN-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)Nc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C20H26N2O/c1-16-10-12-17(13-11-16)6-5-9-20(23)21-19-8-4-7-18(14-19)15-22(2)3/h4,7-8,10-14H,5-6,9,15H2,1-3H3,(H,21,23)
InChIKeyYOXONIMBLKOELU-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.02
Rot. Bonds7

About N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide

N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide (PubChem CID 87001037) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
PubChem CID87001037
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)Nc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C20H26N2O/c1-16-10-12-17(13-11-16)6-5-9-20(23)21-19-8-4-7-18(14-19)15-22(2)3/h4,7-8,10-14H,5-6,9,15H2,1-3H3,(H,21,23)
InChIKeyYOXONIMBLKOELU-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 86979126
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963
N-[3-(bromomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114307276
N-[3-(chloromethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114293248
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86979131
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 46440379
5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 82011163
N-[3-[(dimethylamino)methyl]phenyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 33129189
4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 86883417
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide (CID 87001037) is N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide is Cc1ccc(CCCC(=O)Nc2cccc(CN(C)C)c2)cc1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide?
The InChIKey is YOXONIMBLKOELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16-10-12-17(13-11-16)6-5-9-20(23)21-19-8-4-7-18(14-19)15-22(2)3/h4,7-8,10-14H,5-6,9,15H2,1-3H3,(H,21,23).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide?
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide has a molecular weight of 310.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 87001037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).