N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide

C15H24N2O4 — CID 43399013

IUPACN-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H24N2O4/c1-6-16-15(18)10(2)17-9-12-13(20-4)7-11(19-3)8-14(12)21-5/h7-8,10,17H,6,9H2,1-5H3,(H,16,18)
InChIKeyDCTMUMJLWLCJKQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.33
Rot. Bonds8

About N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide

N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide (PubChem CID 43399013) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide
PubChem CID43399013
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H24N2O4/c1-6-16-15(18)10(2)17-9-12-13(20-4)7-11(19-3)8-14(12)21-5/h7-8,10,17H,6,9H2,1-5H3,(H,16,18)
InChIKeyDCTMUMJLWLCJKQ-UHFFFAOYSA-N
XLogP1.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 61498510
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide
CID 43399003
2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide
CID 106787249
3-sulfanyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoic acid
CID 174778343
3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463232
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
(2S)-2-amino-3,3-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119733862
(2R)-N-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide
CID 8751746
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 61476867
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
(2S)-3-prop-2-enoxy-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoic acid
CID 11370772
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
CID 9044402

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide (CID 43399013) is N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide is CCNC(=O)C(C)NCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide?
The InChIKey is DCTMUMJLWLCJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-6-16-15(18)10(2)17-9-12-13(20-4)7-11(19-3)8-14(12)21-5/h7-8,10,17H,6,9H2,1-5H3,(H,16,18).
What are the key properties of N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide?
N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide has a molecular weight of 296.37 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 43399013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).