2-anilino-N-(3-propan-2-yloxypropyl)acetamide

C14H22N2O2 — CID 39353530

IUPAC2-anilino-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CNc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(2)18-10-6-9-15-14(17)11-16-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3,(H,15,17)
InChIKeyQSHGCHYRWZMHSE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.03
Rot. Bonds8

About 2-anilino-N-(3-propan-2-yloxypropyl)acetamide

2-anilino-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 39353530) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-anilino-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID39353530
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-anilino-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CNc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(2)18-10-6-9-15-14(17)11-16-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3,(H,15,17)
InChIKeyQSHGCHYRWZMHSE-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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

2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39385075
2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39364235
2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39378966
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
2-anilino-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738429
methyl 4-[(2-anilinoacetyl)amino]butanoate
CID 60671224
(2R)-2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
CID 83195053
2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
2-anilino-N-(3-cyanopropyl)acetamide
CID 62666657
3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
CID 17475127

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-anilino-N-(3-propan-2-yloxypropyl)acetamide (CID 39353530) is 2-anilino-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-anilino-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-anilino-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is QSHGCHYRWZMHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(2)18-10-6-9-15-14(17)11-16-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3,(H,15,17).
What are the key properties of 2-anilino-N-(3-propan-2-yloxypropyl)acetamide?
2-anilino-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 39353530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).