(2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide

C29H44N4O2 — CID 59870453

IUPAC(2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide
SMILESCCN(CCC[C@@H](C(=O)Nc1c(C)cccc1C)N(CC)CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C29H44N4O2/c1-8-32(20-26(34)30-27-21(4)14-11-15-22(27)5)19-13-18-25(33(9-2)10-3)29(35)31-28-23(6)16-12-17-24(28)7/h11-12,14-17,25H,8-10,13,18-20H2,1-7H3,(H,30,34)(H,31,35)/t25-/m0/s1
InChIKeyBBURDBGESORNBK-VWLOTQADSA-N
MW480.70 g/mol
LogP5.31
Rot. Bonds13

About (2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide

(2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide (PubChem CID 59870453) has the molecular formula C29H44N4O2 and a molecular weight of 480.70 g/mol. Its IUPAC name is (2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide
PubChem CID59870453
Molecular FormulaC29H44N4O2
Molecular Weight480.70 g/mol
Exact Mass480.35
IUPAC Name(2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide
SMILESCCN(CCC[C@@H](C(=O)Nc1c(C)cccc1C)N(CC)CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C29H44N4O2/c1-8-32(20-26(34)30-27-21(4)14-11-15-22(27)5)19-13-18-25(33(9-2)10-3)29(35)31-28-23(6)16-12-17-24(28)7/h11-12,14-17,25H,8-10,13,18-20H2,1-7H3,(H,30,34)(H,31,35)/t25-/m0/s1
InChIKeyBBURDBGESORNBK-VWLOTQADSA-N
XLogP5.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.70
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-N-(2,6-dimethylphenyl)pentanamide
CID 3048765
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane
CID 145255020
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate
CID 130251780

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide?
The IUPAC name of (2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide (CID 59870453) is (2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide?
The canonical SMILES for (2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide is CCN(CCC[C@@H](C(=O)Nc1c(C)cccc1C)N(CC)CC)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of (2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide?
The InChIKey is BBURDBGESORNBK-VWLOTQADSA-N. The full InChI is InChI=1S/C29H44N4O2/c1-8-32(20-26(34)30-27-21(4)14-11-15-22(27)5)19-13-18-25(33(9-2)10-3)29(35)31-28-23(6)16-12-17-24(28)7/h11-12,14-17,25H,8-10,13,18-20H2,1-7H3,(H,30,34)(H,31,35)/t25-/m0/s1.
What are the key properties of (2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide?
(2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide has a molecular weight of 480.70 g/mol, XLogP of 5.31, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide is sourced from PubChem (CID 59870453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).