2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide

C14H22N2O2 — CID 39353588

IUPAC2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cc(C)ccc1C
InChIInChI=1S/C14H22N2O2/c1-11-5-6-12(2)13(9-11)16-10-14(17)15-7-4-8-18-3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,15,17)
InChIKeyGQDVMFOCSQEJFZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds7

About 2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide

2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 39353588) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
PubChem CID39353588
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cc(C)ccc1C
InChIInChI=1S/C14H22N2O2/c1-11-5-6-12(2)13(9-11)16-10-14(17)15-7-4-8-18-3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,15,17)
InChIKeyGQDVMFOCSQEJFZ-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54811773
2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 6618309
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842310
N-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844883
4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54811419
N-(2-cyanoethyl)-2-(2,5-dimethylanilino)acetamide
CID 28585854
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-5-methylbenzoic acid
CID 113405618
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 55131664
ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate
CID 108994192
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide (CID 39353588) is 2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is GQDVMFOCSQEJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-5-6-12(2)13(9-11)16-10-14(17)15-7-4-8-18-3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,15,17).
What are the key properties of 2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide?
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 39353588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).