1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone

C18H29NO — CID 63565930

IUPAC1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone
SMILESCCCCCN(CC(=O)c1ccc(C)cc1C)C(C)C
InChIInChI=1S/C18H29NO/c1-6-7-8-11-19(14(2)3)13-18(20)17-10-9-15(4)12-16(17)5/h9-10,12,14H,6-8,11,13H2,1-5H3
InChIKeyLTUYAWZMIIWMEZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.39
Rot. Bonds8

About 1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone

1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone (PubChem CID 63565930) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone
PubChem CID63565930
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone
SMILESCCCCCN(CC(=O)c1ccc(C)cc1C)C(C)C
InChIInChI=1S/C18H29NO/c1-6-7-8-11-19(14(2)3)13-18(20)17-10-9-15(4)12-16(17)5/h9-10,12,14H,6-8,11,13H2,1-5H3
InChIKeyLTUYAWZMIIWMEZ-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62031492
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201105
2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
CID 43795126
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818
1-(2,4-dimethylphenyl)decane-1,3-dione
CID 43321493
2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone
CID 64638048
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031117
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
2-bromo-5-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 81109662
2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
CID 82101652
1-(2,5-dimethylphenyl)-2-pentoxypropan-1-one
CID 43801300

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone (CID 63565930) is 1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone is CCCCCN(CC(=O)c1ccc(C)cc1C)C(C)C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone?
The InChIKey is LTUYAWZMIIWMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-7-8-11-19(14(2)3)13-18(20)17-10-9-15(4)12-16(17)5/h9-10,12,14H,6-8,11,13H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone?
1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone has a molecular weight of 275.44 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 63565930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).