2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

C14H22N2O4 — CID 61265652

IUPAC2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)(C)N)cc(OC)c1OC
InChIInChI=1S/C14H22N2O4/c1-14(2,15)13(17)16-8-9-6-10(18-3)12(20-5)11(7-9)19-4/h6-7H,8,15H2,1-5H3,(H,16,17)
InChIKeyMRINUPKUHKMNRU-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.07
Rot. Bonds6

About 2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 61265652) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID61265652
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)(C)N)cc(OC)c1OC
InChIInChI=1S/C14H22N2O4/c1-14(2,15)13(17)16-8-9-6-10(18-3)12(20-5)11(7-9)19-4/h6-7H,8,15H2,1-5H3,(H,16,17)
InChIKeyMRINUPKUHKMNRU-UHFFFAOYSA-N
XLogP1.07
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
1-cyano-N-[(3,4,5-trimethoxyphenyl)methyl]formamide
CID 115172248
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
ethyl 4-oxo-4-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 8529703
2-(azocan-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8680151
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
2-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpentanamide;hydrochloride
CID 119731450
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 61273980
tert-butyl N-[(3,4,5-trimethoxyphenyl)methylamino]carbamate
CID 107237065
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 61265652) is 2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)C(C)(C)N)cc(OC)c1OC.
What is the InChIKey of 2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is MRINUPKUHKMNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,15)13(17)16-8-9-6-10(18-3)12(20-5)11(7-9)19-4/h6-7H,8,15H2,1-5H3,(H,16,17).
What are the key properties of 2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 282.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 61265652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).