2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide

C13H20N2O3 — CID 81083212

IUPAC2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCOCC(N)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C13H20N2O3/c1-9(2)18-12-7-5-4-6-11(12)15-13(16)10(14)8-17-3/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)
InChIKeyFUUZNIRGVFAASK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.39
Rot. Bonds6

About 2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide

2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 81083212) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID81083212
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCOCC(N)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C13H20N2O3/c1-9(2)18-12-7-5-4-6-11(12)15-13(16)10(14)8-17-3/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)
InChIKeyFUUZNIRGVFAASK-UHFFFAOYSA-N
XLogP1.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116593953
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide
CID 107471273
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
CID 81082978
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872
(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
CID 119302241
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109045189
methyl 2-(2-acetamidophenoxy)propanoate
CID 54941686

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide (CID 81083212) is 2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide is COCC(N)C(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is FUUZNIRGVFAASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)18-12-7-5-4-6-11(12)15-13(16)10(14)8-17-3/h4-7,9-10H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide?
2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 252.31 g/mol, XLogP of 1.39, 6 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-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 81083212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).