1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one

C15H21NO — CID 82100288

IUPAC1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one
SMILESC=CCNC(C)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO/c1-5-10-16-12(4)15(17)14-8-6-13(7-9-14)11(2)3/h5-9,11-12,16H,1,10H2,2-4H3
InChIKeyXRJUZFLTLVLDQM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.16
Rot. Bonds6

About 1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one

1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one (PubChem CID 82100288) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one
PubChem CID82100288
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one
SMILESC=CCNC(C)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO/c1-5-10-16-12(4)15(17)14-8-6-13(7-9-14)11(2)3/h5-9,11-12,16H,1,10H2,2-4H3
InChIKeyXRJUZFLTLVLDQM-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one
CID 82100798
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one
CID 82100978
N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide
CID 2585461
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone
CID 91636257
ethyl 4-(4-fluorophenyl)-4-oxo-3-(prop-2-enylamino)butanoate
CID 82322077
1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride
CID 131851401
4-(4-ethoxyphenyl)-4-oxo-3-(prop-2-enylamino)butanoic acid
CID 82322536
N-propan-2-yl-2-(prop-2-enylamino)propanamide
CID 43084813
4-[1-(prop-2-enylamino)ethyl]phenol
CID 43189554
3-(methylamino)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
CID 82322375

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one?
The IUPAC name of 1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one (CID 82100288) is 1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one is C=CCNC(C)C(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one?
The InChIKey is XRJUZFLTLVLDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-10-16-12(4)15(17)14-8-6-13(7-9-14)11(2)3/h5-9,11-12,16H,1,10H2,2-4H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one?
1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one is sourced from PubChem (CID 82100288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).