2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone

C16H24ClNO — CID 54941329

IUPAC2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone
SMILESCCCCN(CC(=O)c1ccccc1Cl)C(C)CC
InChIInChI=1S/C16H24ClNO/c1-4-6-11-18(13(3)5-2)12-16(19)14-9-7-8-10-15(14)17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyLITNNFQYXYQDFO-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.42
Rot. Bonds8

About 2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone

2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone (PubChem CID 54941329) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone
PubChem CID54941329
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone
SMILESCCCCN(CC(=O)c1ccccc1Cl)C(C)CC
InChIInChI=1S/C16H24ClNO/c1-4-6-11-18(13(3)5-2)12-16(19)14-9-7-8-10-15(14)17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyLITNNFQYXYQDFO-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43796012
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892
2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60649990
2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone
CID 55005484
1-(2-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethanone
CID 112662106
N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine
CID 55195116
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
N,N-di(butan-2-yl)-2-chlorobenzamide
CID 4225702
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one
CID 114079709
1-(2-chlorophenyl)-2-pentylsulfinylethanone
CID 107765619
4-[[butan-2-yl(butyl)amino]methyl]-3-chlorobenzoic acid
CID 102669943

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone (CID 54941329) is 2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone is CCCCN(CC(=O)c1ccccc1Cl)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone?
The InChIKey is LITNNFQYXYQDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-4-6-11-18(13(3)5-2)12-16(19)14-9-7-8-10-15(14)17/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone?
2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone has a molecular weight of 281.83 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 54941329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).