2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone

C17H27NO — CID 55005484

IUPAC2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone
SMILESCCCCN(CC(=O)c1cccc(C)c1)C(C)CC
InChIInChI=1S/C17H27NO/c1-5-7-11-18(15(4)6-2)13-17(19)16-10-8-9-14(3)12-16/h8-10,12,15H,5-7,11,13H2,1-4H3
InChIKeyIVWPXDAPLBGKKF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds8

About 2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone

2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone (PubChem CID 55005484) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone
PubChem CID55005484
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone
SMILESCCCCN(CC(=O)c1cccc(C)c1)C(C)CC
InChIInChI=1S/C17H27NO/c1-5-7-11-18(15(4)6-2)13-17(19)16-10-8-9-14(3)12-16/h8-10,12,15H,5-7,11,13H2,1-4H3
InChIKeyIVWPXDAPLBGKKF-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 54999936
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
CID 62030544
2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62052086
2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone
CID 54941329
2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60649990
1-(3-methylphenyl)butan-1-one
CID 4304992
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone
CID 55010786
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
3-methyl-N,N-di(undecyl)benzamide
CID 533252
3-(ethylamino)-1-(3-methylphenyl)butan-1-one
CID 116566722
2-[ethyl-[2-(3-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62037275

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone (CID 55005484) is 2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone is CCCCN(CC(=O)c1cccc(C)c1)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone?
The InChIKey is IVWPXDAPLBGKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-7-11-18(15(4)6-2)13-17(19)16-10-8-9-14(3)12-16/h8-10,12,15H,5-7,11,13H2,1-4H3.
What are the key properties of 2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone?
2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone has a molecular weight of 261.41 g/mol, XLogP of 4.08, 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-(3-methylphenyl)ethanone is sourced from PubChem (CID 55005484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).