N-tert-butyl-2-(4-heptylphenyl)acetamide

C19H31NO — CID 161404255

IUPACN-tert-butyl-2-(4-heptylphenyl)acetamide
SMILESCCCCCCCc1ccc(CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H31NO/c1-5-6-7-8-9-10-16-11-13-17(14-12-16)15-18(21)20-19(2,3)4/h11-14H,5-10,15H2,1-4H3,(H,20,21)
InChIKeyVUPZVTZKXFPGEF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.66
Rot. Bonds8

About N-tert-butyl-2-(4-heptylphenyl)acetamide

N-tert-butyl-2-(4-heptylphenyl)acetamide (PubChem CID 161404255) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-tert-butyl-2-(4-heptylphenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-heptylphenyl)acetamide
PubChem CID161404255
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-tert-butyl-2-(4-heptylphenyl)acetamide
SMILESCCCCCCCc1ccc(CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H31NO/c1-5-6-7-8-9-10-16-11-13-17(14-12-16)15-18(21)20-19(2,3)4/h11-14H,5-10,15H2,1-4H3,(H,20,21)
InChIKeyVUPZVTZKXFPGEF-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one
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[3,3-dihydroxy-4-(4-octylphenyl)butan-2-yl] N-tert-butylcarbamate
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1-butyl-4-nonylbenzene
CID 59545302
2-methyl-2-[(4-pentylbenzoyl)amino]propanoic acid
CID 167119423
1-tert-butyl-4-undecylbenzene
CID 162402478
N-(4-heptylphenyl)heptanamide
CID 101077737
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CID 81369144
1-methyl-4-octylbenzene
CID 11052746

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-heptylphenyl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-heptylphenyl)acetamide (CID 161404255) is N-tert-butyl-2-(4-heptylphenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-heptylphenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-heptylphenyl)acetamide is CCCCCCCc1ccc(CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-(4-heptylphenyl)acetamide?
The InChIKey is VUPZVTZKXFPGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-6-7-8-9-10-16-11-13-17(14-12-16)15-18(21)20-19(2,3)4/h11-14H,5-10,15H2,1-4H3,(H,20,21).
What are the key properties of N-tert-butyl-2-(4-heptylphenyl)acetamide?
N-tert-butyl-2-(4-heptylphenyl)acetamide has a molecular weight of 289.46 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-heptylphenyl)acetamide is sourced from PubChem (CID 161404255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).