4-[(2-ethylanilino)methoxy]-N-methylbutanamide

C14H22N2O2 — CID 123929221

IUPAC4-[(2-ethylanilino)methoxy]-N-methylbutanamide
SMILESCCc1ccccc1NCOCCCC(=O)NC
InChIInChI=1S/C14H22N2O2/c1-3-12-7-4-5-8-13(12)16-11-18-10-6-9-14(17)15-2/h4-5,7-8,16H,3,6,9-11H2,1-2H3,(H,15,17)
InChIKeyWEPBPSQALAEQLR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds8

About 4-[(2-ethylanilino)methoxy]-N-methylbutanamide

4-[(2-ethylanilino)methoxy]-N-methylbutanamide (PubChem CID 123929221) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[(2-ethylanilino)methoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(2-ethylanilino)methoxy]-N-methylbutanamide
PubChem CID123929221
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[(2-ethylanilino)methoxy]-N-methylbutanamide
SMILESCCc1ccccc1NCOCCCC(=O)NC
InChIInChI=1S/C14H22N2O2/c1-3-12-7-4-5-8-13(12)16-11-18-10-6-9-14(17)15-2/h4-5,7-8,16H,3,6,9-11H2,1-2H3,(H,15,17)
InChIKeyWEPBPSQALAEQLR-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(2-propylanilino)butanamide
CID 63891193
4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
CID 19173562
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
methyl (Z)-2-ethyl-4-(2-ethylanilino)but-2-enoate
CID 103235876
ethyl 2-(2-ethylanilino)acetate
CID 28583397
4-[3-(benzylamino)propoxy]-N-methylbutanamide
CID 114782847
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
2-[2-(heptylamino)phenyl]-N-methylacetamide
CID 43692231
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide
CID 63890939

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylanilino)methoxy]-N-methylbutanamide?
The IUPAC name of 4-[(2-ethylanilino)methoxy]-N-methylbutanamide (CID 123929221) is 4-[(2-ethylanilino)methoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[(2-ethylanilino)methoxy]-N-methylbutanamide?
The canonical SMILES for 4-[(2-ethylanilino)methoxy]-N-methylbutanamide is CCc1ccccc1NCOCCCC(=O)NC.
What is the InChIKey of 4-[(2-ethylanilino)methoxy]-N-methylbutanamide?
The InChIKey is WEPBPSQALAEQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-7-4-5-8-13(12)16-11-18-10-6-9-14(17)15-2/h4-5,7-8,16H,3,6,9-11H2,1-2H3,(H,15,17).
What are the key properties of 4-[(2-ethylanilino)methoxy]-N-methylbutanamide?
4-[(2-ethylanilino)methoxy]-N-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylanilino)methoxy]-N-methylbutanamide is sourced from PubChem (CID 123929221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).