2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide

C14H22N2O3 — CID 62473216

IUPAC2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
SMILESCOCCC(N)C(=O)NCc1ccccc1COC
InChIInChI=1S/C14H22N2O3/c1-18-8-7-13(15)14(17)16-9-11-5-3-4-6-12(11)10-19-2/h3-6,13H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyGNMCQEATHXQNGW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.81
Rot. Bonds8

About 2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide

2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide (PubChem CID 62473216) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
PubChem CID62473216
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
SMILESCOCCC(N)C(=O)NCc1ccccc1COC
InChIInChI=1S/C14H22N2O3/c1-18-8-7-13(15)14(17)16-9-11-5-3-4-6-12(11)10-19-2/h3-6,13H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyGNMCQEATHXQNGW-UHFFFAOYSA-N
XLogP0.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride
CID 119956519
2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide
CID 114332295
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 60924991
2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120986491
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
N-[[2-(methoxymethyl)phenyl]methyl]but-2-enamide
CID 112725954
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555
2-amino-4-methoxy-N-[(2-methyl-3-nitrophenyl)methyl]butanamide
CID 103109301
2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide
CID 65229949
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate
CID 79346129

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide (CID 62473216) is 2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide is COCCC(N)C(=O)NCc1ccccc1COC.
What is the InChIKey of 2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide?
The InChIKey is GNMCQEATHXQNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-8-7-13(15)14(17)16-9-11-5-3-4-6-12(11)10-19-2/h3-6,13H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide?
2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide has a molecular weight of 266.34 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 62473216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).