N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide

C20H26N2O — CID 78810531

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCc1ccc(CN(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-16(19-7-5-4-6-8-19)13-20(23)21-14-17-9-11-18(12-10-17)15-22(2)3/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeyVVZNZUCLCQEBNO-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.56
Rot. Bonds7

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

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide (PubChem CID 78810531) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide
PubChem CID78810531
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCc1ccc(CN(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-16(19-7-5-4-6-8-19)13-20(23)21-14-17-9-11-18(12-10-17)15-22(2)3/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeyVVZNZUCLCQEBNO-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,3-diphenylpropanamide
CID 9194490
N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 134039082
N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 11209167
N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide
CID 134029595
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
CID 9194458
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide
CID 155518930
3-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butanoic acid
CID 82543013
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703369

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide (CID 78810531) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide is CC(CC(=O)NCc1ccc(CN(C)C)cc1)c1ccccc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide?
The InChIKey is VVZNZUCLCQEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16(19-7-5-4-6-8-19)13-20(23)21-14-17-9-11-18(12-10-17)15-22(2)3/h4-12,16H,13-15H2,1-3H3,(H,21,23).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide has a molecular weight of 310.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide is sourced from PubChem (CID 78810531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).