N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide

C13H19NO3 — CID 103633623

IUPACN-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide
SMILESCCCOCC(=O)N(C)Cc1ccccc1O
InChIInChI=1S/C13H19NO3/c1-3-8-17-10-13(16)14(2)9-11-6-4-5-7-12(11)15/h4-7,15H,3,8-10H2,1-2H3
InChIKeyHARGAGQACWMZCM-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.78
Rot. Bonds6

About N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide

N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide (PubChem CID 103633623) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide
PubChem CID103633623
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide
SMILESCCCOCC(=O)N(C)Cc1ccccc1O
InChIInChI=1S/C13H19NO3/c1-3-8-17-10-13(16)14(2)9-11-6-4-5-7-12(11)15/h4-7,15H,3,8-10H2,1-2H3
InChIKeyHARGAGQACWMZCM-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide
CID 107937268
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60809822
2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 86861731
2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 54873442
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide
CID 53185000
N-methyl-2-(2-phenylethoxy)-N-propylacetamide
CID 86872280
N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide
CID 60518694
2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-(2-oxo-2-propoxyethyl)amino]ethyl]amino]acetic acid
CID 67702803
(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164001
2-[methyl-(2-propoxyacetyl)amino]benzoic acid
CID 113287953
N-[(2-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46234490

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide (CID 103633623) is N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide is CCCOCC(=O)N(C)Cc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide?
The InChIKey is HARGAGQACWMZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-8-17-10-13(16)14(2)9-11-6-4-5-7-12(11)15/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide?
N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide is sourced from PubChem (CID 103633623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).