N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide

C21H26N2O2 — CID 86979131

IUPACN-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-4-16-8-10-18(11-9-16)20(24)12-13-21(25)22-19-7-5-6-17(14-19)15-23(2)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25)
InChIKeyXRPBLFRSOUMZKR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.91
Rot. Bonds8

About N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide

N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide (PubChem CID 86979131) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
PubChem CID86979131
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-4-16-8-10-18(11-9-16)20(24)12-13-21(25)22-19-7-5-6-17(14-19)15-23(2)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25)
InChIKeyXRPBLFRSOUMZKR-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 86979126
N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 24643347
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963
4-(4-ethylphenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-4-oxobutanamide
CID 86958714
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
CID 87001037
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 34549027
5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 82011163
N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride
CID 119438414
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide (CID 86979131) is N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)Nc2cccc(CN(C)C)c2)cc1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide?
The InChIKey is XRPBLFRSOUMZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-16-8-10-18(11-9-16)20(24)12-13-21(25)22-19-7-5-6-17(14-19)15-23(2)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide?
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide has a molecular weight of 338.45 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 86979131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).