N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide

C23H31N3O2 — CID 24640240

IUPACN-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCCc1ccc(C(CNC(=O)CC(C)NC(=O)c2ccccc2)N(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-5-18-11-13-19(14-12-18)21(26(3)4)16-24-22(27)15-17(2)25-23(28)20-9-7-6-8-10-20/h6-14,17,21H,5,15-16H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyPTLBJBFGQFSQBW-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.18
Rot. Bonds9

About N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide

N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide (PubChem CID 24640240) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide
PubChem CID24640240
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCCc1ccc(C(CNC(=O)CC(C)NC(=O)c2ccccc2)N(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-5-18-11-13-19(14-12-18)21(26(3)4)16-24-22(27)15-17(2)25-23(28)20-9-7-6-8-10-20/h6-14,17,21H,5,15-16H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyPTLBJBFGQFSQBW-UHFFFAOYSA-N
XLogP3.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51195418
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24640125
N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide
CID 134029595
N-[1-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 112764524
N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide
CID 110888740
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34972442
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 51872823
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51195280
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55936274
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide
CID 43045032

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide (CID 24640240) is N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide is CCc1ccc(C(CNC(=O)CC(C)NC(=O)c2ccccc2)N(C)C)cc1.
What is the InChIKey of N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is PTLBJBFGQFSQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-18-11-13-19(14-12-18)21(26(3)4)16-24-22(27)15-17(2)25-23(28)20-9-7-6-8-10-20/h6-14,17,21H,5,15-16H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide?
N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 24640240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).