2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide

C14H22N2O3 — CID 120987551

IUPAC2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1cccc(COC(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)19-8-11-5-4-6-12(7-11)16-14(17)13(15)9-18-3/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyAFEYAFMAMGEESJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.52
Rot. Bonds7

About 2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide

2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide (PubChem CID 120987551) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
PubChem CID120987551
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1cccc(COC(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)19-8-11-5-4-6-12(7-11)16-14(17)13(15)9-18-3/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyAFEYAFMAMGEESJ-UHFFFAOYSA-N
XLogP1.52
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
(2S)-2-amino-4-methylsulfanyl-N-[3-(propan-2-yloxymethyl)phenyl]butanamide
CID 119306285
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
CID 119753959
2-amino-3-methoxy-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]propanamide;hydrochloride
CID 120987747
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
CID 81088494
methyl 3-[[3-[(2-amino-3-methoxypropanoyl)amino]phenyl]methylsulfanyl]propanoate;hydrochloride
CID 120989091
2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide
CID 120986488

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide (CID 120987551) is 2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide is COCC(N)C(=O)Nc1cccc(COC(C)C)c1.
What is the InChIKey of 2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The InChIKey is AFEYAFMAMGEESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)19-8-11-5-4-6-12(7-11)16-14(17)13(15)9-18-3/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide is sourced from PubChem (CID 120987551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).