N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide

C26H33NO — CID 156856938

IUPACN-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide
SMILESCCCCCCc1cccc(CNC(=O)CCCCC#Cc2ccccc2)c1
InChIInChI=1S/C26H33NO/c1-2-3-4-8-17-24-18-13-19-25(21-24)22-27-26(28)20-12-6-5-9-14-23-15-10-7-11-16-23/h7,10-11,13,15-16,18-19,21H,2-6,8,12,17,20,22H2,1H3,(H,27,28)
InChIKeyMZNYOIMQTBXBNL-UHFFFAOYSA-N
MW375.56 g/mol
LogP6.04
Rot. Bonds11

About N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide

N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide (PubChem CID 156856938) has the molecular formula C26H33NO and a molecular weight of 375.56 g/mol. Its IUPAC name is N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide.

Molecular Properties

Compound NameN-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide
PubChem CID156856938
Molecular FormulaC26H33NO
Molecular Weight375.56 g/mol
Exact Mass375.26
IUPAC NameN-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide
SMILESCCCCCCc1cccc(CNC(=O)CCCCC#Cc2ccccc2)c1
InChIInChI=1S/C26H33NO/c1-2-3-4-8-17-24-18-13-19-25(21-24)22-27-26(28)20-12-6-5-9-14-23-15-10-7-11-16-23/h7,10-11,13,15-16,18-19,21H,2-6,8,12,17,20,22H2,1H3,(H,27,28)
InChIKeyMZNYOIMQTBXBNL-UHFFFAOYSA-N
XLogP6.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tridec-1-ynylbenzene
CID 19991064
N-[(3-hydroxyphenyl)methyl]hexanamide
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ethane;non-1-ynylbenzene
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N-(4-phenylbutyl)hexanamide
CID 4985988
N-benzyldocos-13-enamide;hydrochloride
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ethenamine;N-[3-(3-ethylphenyl)prop-2-ynyl]hexadecanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide?
The IUPAC name of N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide (CID 156856938) is N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide.
What is the SMILES notation for N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide?
The canonical SMILES for N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide is CCCCCCc1cccc(CNC(=O)CCCCC#Cc2ccccc2)c1.
What is the InChIKey of N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide?
The InChIKey is MZNYOIMQTBXBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO/c1-2-3-4-8-17-24-18-13-19-25(21-24)22-27-26(28)20-12-6-5-9-14-23-15-10-7-11-16-23/h7,10-11,13,15-16,18-19,21H,2-6,8,12,17,20,22H2,1H3,(H,27,28).
What are the key properties of N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide?
N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide has a molecular weight of 375.56 g/mol, XLogP of 6.04, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hexylphenyl)methyl]-7-phenylhept-6-ynamide is sourced from PubChem (CID 156856938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).