2-amino-N-[2-(methoxymethyl)phenyl]pentanamide

C13H20N2O2 — CID 43701011

IUPAC2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccccc1COC
InChIInChI=1S/C13H20N2O2/c1-3-6-11(14)13(16)15-12-8-5-4-7-10(12)9-17-2/h4-5,7-8,11H,3,6,9,14H2,1-2H3,(H,15,16)
InChIKeyUBQJSGLFVUSTGV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds6

About 2-amino-N-[2-(methoxymethyl)phenyl]pentanamide

2-amino-N-[2-(methoxymethyl)phenyl]pentanamide (PubChem CID 43701011) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-[2-(methoxymethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
PubChem CID43701011
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccccc1COC
InChIInChI=1S/C13H20N2O2/c1-3-6-11(14)13(16)15-12-8-5-4-7-10(12)9-17-2/h4-5,7-8,11H,3,6,9,14H2,1-2H3,(H,15,16)
InChIKeyUBQJSGLFVUSTGV-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[2-(methoxymethyl)anilino]-4-oxobutanoic acid
CID 64896269
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
(2S)-2-amino-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 104897233
(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
CID 107566509
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride
CID 119320774
N-[2-(methoxymethyl)phenyl]-2-(methylamino)propanamide
CID 62637466
2-[2-(methoxymethyl)anilino]pentanoic acid
CID 83041000
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methoxymethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[2-(methoxymethyl)phenyl]pentanamide (CID 43701011) is 2-amino-N-[2-(methoxymethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(methoxymethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(methoxymethyl)phenyl]pentanamide is CCCC(N)C(=O)Nc1ccccc1COC.
What is the InChIKey of 2-amino-N-[2-(methoxymethyl)phenyl]pentanamide?
The InChIKey is UBQJSGLFVUSTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-6-11(14)13(16)15-12-8-5-4-7-10(12)9-17-2/h4-5,7-8,11H,3,6,9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[2-(methoxymethyl)phenyl]pentanamide?
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.90, 6 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]pentanamide is sourced from PubChem (CID 43701011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).