2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide

C13H20N2O2 — CID 43700969

IUPAC2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
SMILESCOCc1ccccc1NC(=O)C(N)C(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)12(14)13(16)15-11-7-5-4-6-10(11)8-17-3/h4-7,9,12H,8,14H2,1-3H3,(H,15,16)
InChIKeyMMAGCEKWPPTYPP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.75
Rot. Bonds5

About 2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide

2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide (PubChem CID 43700969) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
PubChem CID43700969
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
SMILESCOCc1ccccc1NC(=O)C(N)C(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)12(14)13(16)15-11-7-5-4-6-10(11)8-17-3/h4-7,9,12H,8,14H2,1-3H3,(H,15,16)
InChIKeyMMAGCEKWPPTYPP-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
CID 82963336
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
(2S)-2-amino-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 104897233
N-[2-(methoxymethyl)phenyl]-2-(methylamino)propanamide
CID 62637466
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011
3-amino-4-[2-(methoxymethyl)anilino]-4-oxobutanoic acid
CID 64896269
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate
CID 79012215
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide (CID 43700969) is 2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide is COCc1ccccc1NC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide?
The InChIKey is MMAGCEKWPPTYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)12(14)13(16)15-11-7-5-4-6-10(11)8-17-3/h4-7,9,12H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide?
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 43700969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).