N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C24H33N3O2 — CID 46532478

IUPACN-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C(=O)NCCCN(C)Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C24H33N3O2/c1-18(2)22(26-23(28)21-13-8-10-19(3)16-21)24(29)25-14-9-15-27(4)17-20-11-6-5-7-12-20/h5-8,10-13,16,18,22H,9,14-15,17H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyBMBWAIVDZKIGEI-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.39
Rot. Bonds10

About N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 46532478) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID46532478
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C(=O)NCCCN(C)Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C24H33N3O2/c1-18(2)22(26-23(28)21-13-8-10-19(3)16-21)24(29)25-14-9-15-27(4)17-20-11-6-5-7-12-20/h5-8,10-13,16,18,22H,9,14-15,17H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyBMBWAIVDZKIGEI-UHFFFAOYSA-N
XLogP3.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25491544
N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147840
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
N-[1-[(3-amino-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119997662
3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51148319
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119835670
[2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55305966
N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46419166
N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 78856876
N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134023152
2-methyl-3-[4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]phenyl]propanoic acid
CID 120540979

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 46532478) is N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C(=O)NCCCN(C)Cc2ccccc2)C(C)C)c1.
What is the InChIKey of N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is BMBWAIVDZKIGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-18(2)22(26-23(28)21-13-8-10-19(3)16-21)24(29)25-14-9-15-27(4)17-20-11-6-5-7-12-20/h5-8,10-13,16,18,22H,9,14-15,17H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 395.55 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 46532478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).