N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide

C13H20N2O3 — CID 145028711

IUPACN-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(COC)cc(COC)c1
InChIInChI=1S/C13H20N2O3/c1-14-7-13(16)15-12-5-10(8-17-2)4-11(6-12)9-18-3/h4-6,14H,7-9H2,1-3H3,(H,15,16)
InChIKeyWLXIZGDPIIIJNN-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.14
Rot. Bonds7

About N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide

N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide (PubChem CID 145028711) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide
PubChem CID145028711
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(COC)cc(COC)c1
InChIInChI=1S/C13H20N2O3/c1-14-7-13(16)15-12-5-10(8-17-2)4-11(6-12)9-18-3/h4-6,14H,7-9H2,1-3H3,(H,15,16)
InChIKeyWLXIZGDPIIIJNN-UHFFFAOYSA-N
XLogP1.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 62813194
N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride
CID 50988525
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119820030
methyl 3-[[2-(methylamino)acetyl]amino]-5-methylsulfonylbenzoate
CID 119814777
N-(3-fluoro-5-methylphenyl)-2-(methylamino)acetamide
CID 79050421
N-[3-(hydroxymethyl)-5-(methoxymethyl)phenyl]-2-(methylamino)propanamide
CID 126497094
[3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate
CID 59656937
N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119723419
[3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl carbonobromidate
CID 89297635
CID 89319204
CID 89319204
N-[4-(3,5-dimethoxyphenoxy)phenyl]-2-(methylamino)acetamide
CID 154939563
2-(cyclopentylamino)-N-[3-(methoxymethyl)phenyl]acetamide
CID 60847107

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide (CID 145028711) is N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1cc(COC)cc(COC)c1.
What is the InChIKey of N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide?
The InChIKey is WLXIZGDPIIIJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-14-7-13(16)15-12-5-10(8-17-2)4-11(6-12)9-18-3/h4-6,14H,7-9H2,1-3H3,(H,15,16).
What are the key properties of N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide?
N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 145028711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).