2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide

C14H22N2O2 — CID 113243144

IUPAC2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
SMILESCOCc1cccc(CNC(C(N)=O)C(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(14(15)17)16-8-11-5-4-6-12(7-11)9-18-3/h4-7,10,13,16H,8-9H2,1-3H3,(H2,15,17)
InChIKeyWXSSKFJYFPTKQW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.43
Rot. Bonds7

About 2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide

2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide (PubChem CID 113243144) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
PubChem CID113243144
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
SMILESCOCc1cccc(CNC(C(N)=O)C(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(14(15)17)16-8-11-5-4-6-12(7-11)9-18-3/h4-7,10,13,16H,8-9H2,1-3H3,(H2,15,17)
InChIKeyWXSSKFJYFPTKQW-UHFFFAOYSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide
CID 54896649
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide
CID 61003057
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 61003389
N-cyclopropyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 54896696
3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 60970958
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
3-methyl-2-[(3-phenylmethoxyphenyl)methylamino]butanoic acid
CID 66527226
methyl (2S)-2-(benzylamino)-3-methylbutanoate;hydrochloride
CID 56777091

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide (CID 113243144) is 2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide is COCc1cccc(CNC(C(N)=O)C(C)C)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide?
The InChIKey is WXSSKFJYFPTKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(14(15)17)16-8-11-5-4-6-12(7-11)9-18-3/h4-7,10,13,16H,8-9H2,1-3H3,(H2,15,17).
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide?
2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide is sourced from PubChem (CID 113243144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).