N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide

C23H30N2O2 — CID 39757925

IUPACN-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)20-14-12-18(13-15-20)17-25(4)21(26)11-8-16-24-22(27)19-9-6-5-7-10-19/h5-7,9-10,12-15H,8,11,16-17H2,1-4H3,(H,24,27)
InChIKeyBWZPWWVATUHLBM-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.15
Rot. Bonds7

About N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide

N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide (PubChem CID 39757925) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
PubChem CID39757925
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)20-14-12-18(13-15-20)17-25(4)21(26)11-8-16-24-22(27)19-9-6-5-7-10-19/h5-7,9-10,12-15H,8,11,16-17H2,1-4H3,(H,24,27)
InChIKeyBWZPWWVATUHLBM-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide
CID 39758747
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
CID 43056971
N-[4-[methyl-[(3-nitrophenyl)methyl]amino]-4-oxobutyl]benzamide
CID 46404872
4-chloro-N-[4-[methyl(naphthalen-2-ylmethyl)amino]-4-oxobutyl]benzamide
CID 27848251
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
5-[[4-benzamidobutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222783

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide (CID 39757925) is N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The InChIKey is BWZPWWVATUHLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-23(2,3)20-14-12-18(13-15-20)17-25(4)21(26)11-8-16-24-22(27)19-9-6-5-7-10-19/h5-7,9-10,12-15H,8,11,16-17H2,1-4H3,(H,24,27).
What are the key properties of N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide?
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 39757925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).