(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide

C22H29N3O4 — CID 2658568

IUPAC(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
SMILESCCOc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C22H29N3O4/c1-5-28-19-13-12-18(14-20(19)29-6-2)23-21(26)15-25(4)16(3)22(27)24-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyTUEGGUJKXPWMDI-MRXNPFEDSA-N
MW399.49 g/mol
LogP3.38
Rot. Bonds10

About (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide

(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide (PubChem CID 2658568) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
PubChem CID2658568
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
SMILESCCOc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C22H29N3O4/c1-5-28-19-13-12-18(14-20(19)29-6-2)23-21(26)15-25(4)16(3)22(27)24-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyTUEGGUJKXPWMDI-MRXNPFEDSA-N
XLogP3.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 24506793
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912469
N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801790
(2S)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9223025
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 7910523
N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 46801791
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11933754
2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 24561000
N-(3,4-diethoxyphenyl)-2-[[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 11937853
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46406054

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide (CID 2658568) is (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide is CCOc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccccc2)cc1OCC.
What is the InChIKey of (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide?
The InChIKey is TUEGGUJKXPWMDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-5-28-19-13-12-18(14-20(19)29-6-2)23-21(26)15-25(4)16(3)22(27)24-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3,(H,23,26)(H,24,27)/t16-/m1/s1.
What are the key properties of (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide?
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide has a molecular weight of 399.49 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide is sourced from PubChem (CID 2658568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).