N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide

C17H27NO — CID 78854085

IUPACN-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide
SMILESCCCCc1ccc(CC(=O)N(C)C(C)CC)cc1
InChIInChI=1S/C17H27NO/c1-5-7-8-15-9-11-16(12-10-15)13-17(19)18(4)14(3)6-2/h9-12,14H,5-8,13H2,1-4H3
InChIKeySPINPNFCBAJJMI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.83
Rot. Bonds7

About N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide

N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide (PubChem CID 78854085) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide
PubChem CID78854085
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide
SMILESCCCCc1ccc(CC(=O)N(C)C(C)CC)cc1
InChIInChI=1S/C17H27NO/c1-5-7-8-15-9-11-16(12-10-15)13-17(19)18(4)14(3)6-2/h9-12,14H,5-8,13H2,1-4H3
InChIKeySPINPNFCBAJJMI-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115673298
N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide
CID 56813078
2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468
4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113343131
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
2-(4-butylphenyl)propanamide
CID 90926449
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119583475
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563
2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 46450100
methyl 2-(4-butylphenyl)acetate
CID 10442975

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide?
The IUPAC name of N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide (CID 78854085) is N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide?
The canonical SMILES for N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide is CCCCc1ccc(CC(=O)N(C)C(C)CC)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide?
The InChIKey is SPINPNFCBAJJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-7-8-15-9-11-16(12-10-15)13-17(19)18(4)14(3)6-2/h9-12,14H,5-8,13H2,1-4H3.
What are the key properties of N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide?
N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide has a molecular weight of 261.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide is sourced from PubChem (CID 78854085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).