2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide

C13H20N2O3 — CID 60787348

IUPAC2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
SMILESCOc1cc(C(C)(NC(C)C)C(N)=O)ccc1O
InChIInChI=1S/C13H20N2O3/c1-8(2)15-13(3,12(14)17)9-5-6-10(16)11(7-9)18-4/h5-8,15-16H,1-4H3,(H2,14,17)
InChIKeyQNUYIWOQMNDPSL-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.10
Rot. Bonds5

About 2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide

2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide (PubChem CID 60787348) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
PubChem CID60787348
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
SMILESCOc1cc(C(C)(NC(C)C)C(N)=O)ccc1O
InChIInChI=1S/C13H20N2O3/c1-8(2)15-13(3,12(14)17)9-5-6-10(16)11(7-9)18-4/h5-8,15-16H,1-4H3,(H2,14,17)
InChIKeyQNUYIWOQMNDPSL-UHFFFAOYSA-N
XLogP1.10
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030
2-(ethylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 60787205
2-(6-methoxynaphthalen-2-yl)-2-(propan-2-ylamino)propanamide
CID 60788360
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide
CID 61210890
2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide
CID 107707483
2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 66165562
2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol
CID 141133714
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 54889835
4-(2-fluoropropan-2-yl)-2-methoxyphenol
CID 84659603
2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-ylpropanamide
CID 60992391
ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
CID 60788348
4-[2-(ethylamino)propan-2-yl]-2-methoxyphenol
CID 163597748

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide (CID 60787348) is 2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide is COc1cc(C(C)(NC(C)C)C(N)=O)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide?
The InChIKey is QNUYIWOQMNDPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)15-13(3,12(14)17)9-5-6-10(16)11(7-9)18-4/h5-8,15-16H,1-4H3,(H2,14,17).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide?
2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide has a molecular weight of 252.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60787348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).