4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide

C16H24ClNO3 — CID 21367640

IUPAC4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO3/c1-13(2)20-12-4-10-18-16(19)5-3-11-21-15-8-6-14(17)7-9-15/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyMIUWHMWRNCBAIF-UHFFFAOYSA-N
MW313.82 g/mol
LogP3.43
Rot. Bonds10

About 4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide

4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 21367640) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID21367640
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO3/c1-13(2)20-12-4-10-18-16(19)5-3-11-21-15-8-6-14(17)7-9-15/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyMIUWHMWRNCBAIF-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 53.43
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

4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
CID 30877404
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110487099
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39385075
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide
CID 126392224
N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 110487301
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
4-[3-(4-chlorophenoxy)propylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 18416233
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide (CID 21367640) is 4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide is CC(C)OCCCNC(=O)CCCOc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is MIUWHMWRNCBAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-13(2)20-12-4-10-18-16(19)5-3-11-21-15-8-6-14(17)7-9-15/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 313.82 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 21367640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).