N-phenylpentacosanamide

C31H55NO — CID 19025260

IUPACN-phenylpentacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C31H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-31(33)32-30-27-24-23-25-28-30/h23-25,27-28H,2-22,26,29H2,1H3,(H,32,33)
InChIKeySHNLLTLQSHYHCH-UHFFFAOYSA-N
MW457.79 g/mol
LogP10.62
Rot. Bonds24

About N-phenylpentacosanamide

N-phenylpentacosanamide (PubChem CID 19025260) has the molecular formula C31H55NO and a molecular weight of 457.79 g/mol. Its IUPAC name is N-phenylpentacosanamide.

Molecular Properties

Compound NameN-phenylpentacosanamide
PubChem CID19025260
Molecular FormulaC31H55NO
Molecular Weight457.79 g/mol
Exact Mass457.43
IUPAC NameN-phenylpentacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C31H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-31(33)32-30-27-24-23-25-28-30/h23-25,27-28H,2-22,26,29H2,1H3,(H,32,33)
InChIKeySHNLLTLQSHYHCH-UHFFFAOYSA-N
XLogP10.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.79
LogP ≤ 510.62
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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(Z)-N-phenyloctadec-9-enamide
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N-phenyldocos-13-enamide
CID 54224492
N-[4-(icosanoylamino)phenyl]icosanamide
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4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
1-(octanoylamino)-3-phenylurea
CID 5130887
11-anilino-11-oxoundecanoic acid
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44-anilino-44-oxotetratetracontanoic acid
CID 152661091

Frequently Asked Questions

What is the IUPAC name of N-phenylpentacosanamide?
The IUPAC name of N-phenylpentacosanamide (CID 19025260) is N-phenylpentacosanamide.
What is the SMILES notation for N-phenylpentacosanamide?
The canonical SMILES for N-phenylpentacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenylpentacosanamide?
The InChIKey is SHNLLTLQSHYHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-31(33)32-30-27-24-23-25-28-30/h23-25,27-28H,2-22,26,29H2,1H3,(H,32,33).
What are the key properties of N-phenylpentacosanamide?
N-phenylpentacosanamide has a molecular weight of 457.79 g/mol, XLogP of 10.62, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpentacosanamide is sourced from PubChem (CID 19025260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).