N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide

C14H19NO3 — CID 113101778

IUPACN-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
SMILESCOc1cc(C)ccc1OCCNC(=O)C1CC1
InChIInChI=1S/C14H19NO3/c1-10-3-6-12(13(9-10)17-2)18-8-7-15-14(16)11-4-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,15,16)
InChIKeyHICCTOMALMFQRN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.91
Rot. Bonds6

About N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide

N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide (PubChem CID 113101778) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
PubChem CID113101778
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
SMILESCOc1cc(C)ccc1OCCNC(=O)C1CC1
InChIInChI=1S/C14H19NO3/c1-10-3-6-12(13(9-10)17-2)18-8-7-15-14(16)11-4-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,15,16)
InChIKeyHICCTOMALMFQRN-UHFFFAOYSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.91
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-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112975321
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
1-(3,5-dimethylphenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975337
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39944100
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide
CID 54403626
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975273

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide (CID 113101778) is N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide is COc1cc(C)ccc1OCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide?
The InChIKey is HICCTOMALMFQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-3-6-12(13(9-10)17-2)18-8-7-15-14(16)11-4-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide?
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113101778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).