2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide

C14H22N2O3 — CID 81088183

IUPAC2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
SMILESCOCC(N)C(=O)NC(C)COc1ccc(C)cc1
InChIInChI=1S/C14H22N2O3/c1-10-4-6-12(7-5-10)19-8-11(2)16-14(17)13(15)9-18-3/h4-7,11,13H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyGCZIMMIAMPLYSP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.85
Rot. Bonds7

About 2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide

2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide (PubChem CID 81088183) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
PubChem CID81088183
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
SMILESCOCC(N)C(=O)NC(C)COc1ccc(C)cc1
InChIInChI=1S/C14H22N2O3/c1-10-4-6-12(7-5-10)19-8-11(2)16-14(17)13(15)9-18-3/h4-7,11,13H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyGCZIMMIAMPLYSP-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
2-amino-3-methoxy-N-(1-methoxypropan-2-yl)propanamide
CID 81082109
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide
CID 9172678
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide
CID 61168701
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide (CID 81088183) is 2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide is COCC(N)C(=O)NC(C)COc1ccc(C)cc1.
What is the InChIKey of 2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
The InChIKey is GCZIMMIAMPLYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-4-6-12(7-5-10)19-8-11(2)16-14(17)13(15)9-18-3/h4-7,11,13H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.85, 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-[1-(4-methylphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 81088183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).