2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone

C16H25NO — CID 82101728

IUPAC2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone
SMILESCCC(C)NCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-6-12(2)17-11-15(18)13-7-9-14(10-8-13)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3
InChIKeySVSDWHADQZEMQI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone

2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone (PubChem CID 82101728) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone
PubChem CID82101728
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone
SMILESCCC(C)NCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-6-12(2)17-11-15(18)13-7-9-14(10-8-13)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3
InChIKeySVSDWHADQZEMQI-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(butan-2-ylamino)-3-(4-tert-butylphenyl)propan-2-one
CID 116556209
2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone
CID 112510754
2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
CID 82101621
1,5-bis(4-tert-butylphenyl)pentane-1,3,5-trione
CID 66932735
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
3-[(4-tert-butylbenzoyl)amino]butanoic acid
CID 18370033
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
2-(butan-2-ylamino)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116556128
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one
CID 82100622
3-[[2-(4-tert-butylphenyl)-2-oxoethyl]amino]propanoic acid
CID 82101755
1-(4-tert-butylphenyl)-3-(4-phosphanylphenyl)propane-1,3-dione
CID 59129999

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone (CID 82101728) is 2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone is CCC(C)NCC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone?
The InChIKey is SVSDWHADQZEMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-12(2)17-11-15(18)13-7-9-14(10-8-13)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3.
What are the key properties of 2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone?
2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone has a molecular weight of 247.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone is sourced from PubChem (CID 82101728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).