2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide

C13H19NO3 — CID 142802550

IUPAC2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
SMILESCc1ccc(OCCCN(C)C(=O)CO)cc1
InChIInChI=1S/C13H19NO3/c1-11-4-6-12(7-5-11)17-9-3-8-14(2)13(16)10-15/h4-7,15H,3,8-10H2,1-2H3
InChIKeyZSYRHENCRBFKFK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.21
Rot. Bonds6

About 2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide

2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide (PubChem CID 142802550) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
PubChem CID142802550
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
SMILESCc1ccc(OCCCN(C)C(=O)CO)cc1
InChIInChI=1S/C13H19NO3/c1-11-4-6-12(7-5-11)17-9-3-8-14(2)13(16)10-15/h4-7,15H,3,8-10H2,1-2H3
InChIKeyZSYRHENCRBFKFK-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide
CID 107202307
methyl 3-[methyl-[4-(4-methylphenoxy)butanoyl]amino]propanoate
CID 61030939
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
1-hydroxy-4-(4-methylphenoxy)butan-2-one
CID 95437360
3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 47120479
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide (CID 142802550) is 2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide is Cc1ccc(OCCCN(C)C(=O)CO)cc1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide?
The InChIKey is ZSYRHENCRBFKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-11-4-6-12(7-5-11)17-9-3-8-14(2)13(16)10-15/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of 2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide?
2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 142802550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).