1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one

C16H23NO — CID 114607529

IUPAC1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H23NO/c1-4-17-16(2,3)15(18)14-10-6-9-13(11-14)12-7-5-8-12/h6,9-12,17H,4-5,7-8H2,1-3H3
InChIKeyYWSSLRRDPDPECY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.52
Rot. Bonds5

About 1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one

1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one (PubChem CID 114607529) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one
PubChem CID114607529
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H23NO/c1-4-17-16(2,3)15(18)14-10-6-9-13(11-14)12-7-5-8-12/h6,9-12,17H,4-5,7-8H2,1-3H3
InChIKeyYWSSLRRDPDPECY-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601959
1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one
CID 114602128
2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
CID 116566096
(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one
CID 103454372
(3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105135149
1-(3-cyclobutylphenyl)-3,5,5-trimethylhexan-1-one
CID 115814546
methyl 3-cyclohexylbenzoate
CID 67160762
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone
CID 114607490
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one (CID 114607529) is 1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one is CCNC(C)(C)C(=O)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one?
The InChIKey is YWSSLRRDPDPECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-17-16(2,3)15(18)14-10-6-9-13(11-14)12-7-5-8-12/h6,9-12,17H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one?
1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 114607529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).