2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one

C16H25NO2 — CID 82100874

IUPAC2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCCCCNC(C)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-6-11-17-13(4)16(18)14-7-9-15(10-8-14)19-12(2)3/h7-10,12-13,17H,5-6,11H2,1-4H3
InChIKeyPKCFULVLGBISHP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.43
Rot. Bonds8

About 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one

2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one (PubChem CID 82100874) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
PubChem CID82100874
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCCCCNC(C)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-6-11-17-13(4)16(18)14-7-9-15(10-8-14)19-12(2)3/h7-10,12-13,17H,5-6,11H2,1-4H3
InChIKeyPKCFULVLGBISHP-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
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

2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100899
2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100873
2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
CID 82100764
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
2-(butylamino)-1-(3,4-dichlorophenyl)propan-1-one
CID 82100709
1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82314177
2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 82100852
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100415
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100877

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one (CID 82100874) is 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one is CCCCNC(C)C(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is PKCFULVLGBISHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-6-11-17-13(4)16(18)14-7-9-15(10-8-14)19-12(2)3/h7-10,12-13,17H,5-6,11H2,1-4H3.
What are the key properties of 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 82100874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).