N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide

C15H24N2O — CID 115157760

IUPACN-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)c1ccc(C(C)CC)cc1
InChIInChI=1S/C15H24N2O/c1-5-12(3)13-7-9-14(10-8-13)17(4)15(18)11-16-6-2/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyMIWZNAQRGJMFEZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.77
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide

N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide (PubChem CID 115157760) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide
PubChem CID115157760
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)c1ccc(C(C)CC)cc1
InChIInChI=1S/C15H24N2O/c1-5-12(3)13-7-9-14(10-8-13)17(4)15(18)11-16-6-2/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyMIWZNAQRGJMFEZ-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N-methyl-N-(4-propan-2-ylphenyl)acetamide
CID 115157740
N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138838
2-(ethylamino)-N-methyl-N-(4-propan-2-yloxyphenyl)acetamide
CID 115157788
2-(ethylamino)-N-methyl-N-pyridin-4-ylacetamide
CID 106935129
2-(ethylamino)-N-methyl-N-(6-methylnaphthalen-2-yl)acetamide
CID 115157845
N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide
CID 115157761
N'-[(4-butan-2-ylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205898
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992
N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260660
2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8834658
N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
CID 143909835
N-(4-ethylphenyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79281989

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide (CID 115157760) is N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide is CCNCC(=O)N(C)c1ccc(C(C)CC)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide?
The InChIKey is MIWZNAQRGJMFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-12(3)13-7-9-14(10-8-13)17(4)15(18)11-16-6-2/h7-10,12,16H,5-6,11H2,1-4H3.
What are the key properties of N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide?
N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide has a molecular weight of 248.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide is sourced from PubChem (CID 115157760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).