N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide

C13H19NO3 — CID 113256572

IUPACN-(5-methoxy-2-methylphenyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cc(OC)ccc1C
InChIInChI=1S/C13H19NO3/c1-4-7-17-9-13(15)14-12-8-11(16-3)6-5-10(12)2/h5-6,8H,4,7,9H2,1-3H3,(H,14,15)
InChIKeyRVUNYRBHRPNSPN-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.37
Rot. Bonds6

About N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide

N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide (PubChem CID 113256572) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methylphenyl)-2-propoxyacetamide
PubChem CID113256572
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(5-methoxy-2-methylphenyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cc(OC)ccc1C
InChIInChI=1S/C13H19NO3/c1-4-7-17-9-13(15)14-12-8-11(16-3)6-5-10(12)2/h5-6,8H,4,7,9H2,1-3H3,(H,14,15)
InChIKeyRVUNYRBHRPNSPN-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 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 ≤ 52.37
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-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
3-bromo-N-(5-methoxy-2-methylphenyl)propanamide
CID 130496323
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 35366389
1-(4-methoxy-2-methylphenyl)-2-propoxyethanone
CID 65313550
N-(2,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678307
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide
CID 103841314
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142
N-(2,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652754

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide?
The IUPAC name of N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide (CID 113256572) is N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide.
What is the SMILES notation for N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide?
The canonical SMILES for N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide is CCCOCC(=O)Nc1cc(OC)ccc1C.
What is the InChIKey of N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide?
The InChIKey is RVUNYRBHRPNSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-7-17-9-13(15)14-12-8-11(16-3)6-5-10(12)2/h5-6,8H,4,7,9H2,1-3H3,(H,14,15).
What are the key properties of N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide?
N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide has a molecular weight of 237.30 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide is sourced from PubChem (CID 113256572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).