(2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide

C23H31N3O2 — CID 9221814

IUPAC(2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C23H31N3O2/c1-6-26(15-20-13-8-7-9-14-20)23(28)19(4)25(5)16-21(27)24-22-17(2)11-10-12-18(22)3/h7-14,19H,6,15-16H2,1-5H3,(H,24,27)/t19-/m0/s1
InChIKeySXBLXFHUSHTTLY-IBGZPJMESA-N
MW381.52 g/mol
LogP3.61
Rot. Bonds8

About (2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide

(2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide (PubChem CID 9221814) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
PubChem CID9221814
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C23H31N3O2/c1-6-26(15-20-13-8-7-9-14-20)23(28)19(4)25(5)16-21(27)24-22-17(2)11-10-12-18(22)3/h7-14,19H,6,15-16H2,1-5H3,(H,24,27)/t19-/m0/s1
InChIKeySXBLXFHUSHTTLY-IBGZPJMESA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
CID 9287521
2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917294
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-hydroxy-2,2-diphenylacetamide
CID 167875350
(2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8557644
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913236
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87600437
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113161843
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9437869
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119952064
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 46561822

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide?
The IUPAC name of (2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide (CID 9221814) is (2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide?
The canonical SMILES for (2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of (2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide?
The InChIKey is SXBLXFHUSHTTLY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H31N3O2/c1-6-26(15-20-13-8-7-9-14-20)23(28)19(4)25(5)16-21(27)24-22-17(2)11-10-12-18(22)3/h7-14,19H,6,15-16H2,1-5H3,(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide?
(2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide has a molecular weight of 381.52 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide is sourced from PubChem (CID 9221814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).