N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide

C24H33N3O2 — CID 55602409

IUPACN-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cccc(CN(CC)CC)c1
InChIInChI=1S/C24H33N3O2/c1-5-18(4)22(26-23(28)20-13-9-8-10-14-20)24(29)25-21-15-11-12-19(16-21)17-27(6-2)7-3/h8-16,18,22H,5-7,17H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyOPYGCJHMSAOUEM-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.31
Rot. Bonds10

About N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide

N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 55602409) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID55602409
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cccc(CN(CC)CC)c1
InChIInChI=1S/C24H33N3O2/c1-5-18(4)22(26-23(28)20-13-9-8-10-14-20)24(29)25-21-15-11-12-19(16-21)17-27(6-2)7-3/h8-16,18,22H,5-7,17H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyOPYGCJHMSAOUEM-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide
CID 24626096
N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46579081
N-[(2S,3S)-3-methyl-1-oxo-1-[3-(trifluoromethyl)anilino]pentan-2-yl]benzamide
CID 9138725
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide
CID 55550380
N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylpropanoylamino)anilino]pentan-2-yl]benzamide
CID 46468316
N-[1-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55727905
N-[1-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 55655480
benzyl 2-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]acetate
CID 7613309
N-[(2S,3S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide
CID 9034859
(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
CID 61177892

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 55602409) is N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cccc(CN(CC)CC)c1.
What is the InChIKey of N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is OPYGCJHMSAOUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-5-18(4)22(26-23(28)20-13-9-8-10-14-20)24(29)25-21-15-11-12-19(16-21)17-27(6-2)7-3/h8-16,18,22H,5-7,17H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 395.55 g/mol, XLogP of 4.31, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55602409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).