2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide

C11H16N2O3 — CID 115774727

IUPAC2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide
SMILESCOCC(NCc1ccccc1O)C(N)=O
InChIInChI=1S/C11H16N2O3/c1-16-7-9(11(12)15)13-6-8-4-2-3-5-10(8)14/h2-5,9,13-14H,6-7H2,1H3,(H2,12,15)
InChIKeyKYWKZACKZRZNSQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.02
Rot. Bonds6

About 2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide

2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide (PubChem CID 115774727) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide
PubChem CID115774727
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide
SMILESCOCC(NCc1ccccc1O)C(N)=O
InChIInChI=1S/C11H16N2O3/c1-16-7-9(11(12)15)13-6-8-4-2-3-5-10(8)14/h2-5,9,13-14H,6-7H2,1H3,(H2,12,15)
InChIKeyKYWKZACKZRZNSQ-UHFFFAOYSA-N
XLogP-0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
ethyl (2S)-2-[(2-hydroxyphenyl)methylamino]-3-sulfanylpropanoate
CID 10060925
3-methoxy-2-(thiophen-3-ylmethylamino)propanamide
CID 115774705
(2S)-2-[(2-hydroxyphenyl)methylamino]-4-methoxy-4-oxobutanoic acid
CID 6543579
2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide
CID 106190626
2-(2-hydroxyphenyl)-N-(2-methoxyethoxy)acetamide
CID 79679652
3-methoxy-2-(1-phenylethylamino)propanamide
CID 115774804
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478
2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide
CID 115774710
methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021
(2R)-2-[(2,3-dihydroxyphenyl)methylamino]pentanediamide
CID 57029014
2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986590

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide?
The IUPAC name of 2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide (CID 115774727) is 2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide is COCC(NCc1ccccc1O)C(N)=O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide?
The InChIKey is KYWKZACKZRZNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-7-9(11(12)15)13-6-8-4-2-3-5-10(8)14/h2-5,9,13-14H,6-7H2,1H3,(H2,12,15).
What are the key properties of 2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide?
2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide has a molecular weight of 224.26 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide is sourced from PubChem (CID 115774727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).