N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide

C13H20N2O2 — CID 54874125

IUPACN-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)14-8-13(17)15(3)9-11-5-4-6-12(16)7-11/h4-7,10,14,16H,8-9H2,1-3H3
InChIKeyMPACUQCJSDEJQG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.35
Rot. Bonds5

About N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide

N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide (PubChem CID 54874125) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
PubChem CID54874125
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)14-8-13(17)15(3)9-11-5-4-6-12(16)7-11/h4-7,10,14,16H,8-9H2,1-3H3
InChIKeyMPACUQCJSDEJQG-UHFFFAOYSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 61041591
N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54874164
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 54870401
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 113416227
(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60951395
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 61399859

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide (CID 54874125) is N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)N(C)Cc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The InChIKey is MPACUQCJSDEJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)14-8-13(17)15(3)9-11-5-4-6-12(16)7-11/h4-7,10,14,16H,8-9H2,1-3H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 54874125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).