(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide

C15H23N3O4 — CID 94104980

IUPAC(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide
SMILESCCOc1ccc(OCC)c(N[C@@H](C)C(=O)NC(=O)NC)c1
InChIInChI=1S/C15H23N3O4/c1-5-21-11-7-8-13(22-6-2)12(9-11)17-10(3)14(19)18-15(20)16-4/h7-10,17H,5-6H2,1-4H3,(H2,16,18,19,20)/t10-/m0/s1
InChIKeyFMNLDEWJKCATSF-JTQLQIEISA-N
MW309.37 g/mol
LogP1.74
Rot. Bonds7

About (2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide

(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 94104980) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide
PubChem CID94104980
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide
SMILESCCOc1ccc(OCC)c(N[C@@H](C)C(=O)NC(=O)NC)c1
InChIInChI=1S/C15H23N3O4/c1-5-21-11-7-8-13(22-6-2)12(9-11)17-10(3)14(19)18-15(20)16-4/h7-10,17H,5-6H2,1-4H3,(H2,16,18,19,20)/t10-/m0/s1
InChIKeyFMNLDEWJKCATSF-JTQLQIEISA-N
XLogP1.74
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-diethoxyanilino)-N-ethylpropanamide
CID 43088911
2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide
CID 43114050
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
2-acetamido-N-(2,5-diethoxyphenyl)propanamide
CID 78778179
2-(2-ethoxyanilino)-N-methylpropanamide
CID 43085473
(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 94817705
2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
CID 43328839
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115928387
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751721
(2R)-2-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]anilino]-N-(methylcarbamoyl)propanamide
CID 95323022

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide (CID 94104980) is (2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide is CCOc1ccc(OCC)c(N[C@@H](C)C(=O)NC(=O)NC)c1.
What is the InChIKey of (2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is FMNLDEWJKCATSF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23N3O4/c1-5-21-11-7-8-13(22-6-2)12(9-11)17-10(3)14(19)18-15(20)16-4/h7-10,17H,5-6H2,1-4H3,(H2,16,18,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide?
(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 94104980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).