(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide

C14H22N2O3 — CID 9044402

IUPAC(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)Nc1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H22N2O3/c1-6-15-14(17)10(3)16-11-8-13(19-5)12(18-4)7-9(11)2/h7-8,10,16H,6H2,1-5H3,(H,15,17)/t10-/m0/s1
InChIKeyCQAHGYSIPBSMPQ-JTQLQIEISA-N
MW266.34 g/mol
LogP1.95
Rot. Bonds6

About (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide

(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide (PubChem CID 9044402) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
PubChem CID9044402
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)Nc1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H22N2O3/c1-6-15-14(17)10(3)16-11-8-13(19-5)12(18-4)7-9(11)2/h7-8,10,16H,6H2,1-5H3,(H,15,17)/t10-/m0/s1
InChIKeyCQAHGYSIPBSMPQ-JTQLQIEISA-N
XLogP1.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4,5-dimethoxy-2-methylanilino)propanoic acid
CID 66173318
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide
CID 107258957
2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 51168758
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
(2S)-2-(4,5-dimethoxy-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 30377089
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11924075
2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847
2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 79961871
N-(1-ethylsulfonylpropan-2-yl)-4,5-dimethoxy-2-methylaniline
CID 115916509
2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 47005946
N-ethyl-2-(2-methyl-5-nitroanilino)propanamide
CID 55023374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide?
The IUPAC name of (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide (CID 9044402) is (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide?
The canonical SMILES for (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide is CCNC(=O)[C@H](C)Nc1cc(OC)c(OC)cc1C.
What is the InChIKey of (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide?
The InChIKey is CQAHGYSIPBSMPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O3/c1-6-15-14(17)10(3)16-11-8-13(19-5)12(18-4)7-9(11)2/h7-8,10,16H,6H2,1-5H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide?
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide is sourced from PubChem (CID 9044402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).