N-phenylheptatetracontanamide

C53H99NO — CID 150503307

IUPACN-phenylheptatetracontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C53H99NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-48-51-53(55)54-52-49-46-45-47-50-52/h45-47,49-50H,2-44,48,51H2,1H3,(H,54,55)
InChIKeyHYGUTEOLGHJPMA-UHFFFAOYSA-N
MW766.38 g/mol
LogP19.20
Rot. Bonds46

About N-phenylheptatetracontanamide

N-phenylheptatetracontanamide (PubChem CID 150503307) has the molecular formula C53H99NO and a molecular weight of 766.38 g/mol. Its IUPAC name is N-phenylheptatetracontanamide.

Molecular Properties

Compound NameN-phenylheptatetracontanamide
PubChem CID150503307
Molecular FormulaC53H99NO
Molecular Weight766.38 g/mol
Exact Mass765.77
IUPAC NameN-phenylheptatetracontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C53H99NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-48-51-53(55)54-52-49-46-45-47-50-52/h45-47,49-50H,2-44,48,51H2,1H3,(H,54,55)
InChIKeyHYGUTEOLGHJPMA-UHFFFAOYSA-N
XLogP19.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds46
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.38
LogP ≤ 519.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-phenylheptatetracontanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenylpentacosanamide
CID 19025260
5-oxo-N-phenylheptadecanamide
CID 3308902
formamide;N-phenylheptanamide
CID 143464966
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
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
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091

Frequently Asked Questions

What is the IUPAC name of N-phenylheptatetracontanamide?
The IUPAC name of N-phenylheptatetracontanamide (CID 150503307) is N-phenylheptatetracontanamide.
What is the SMILES notation for N-phenylheptatetracontanamide?
The canonical SMILES for N-phenylheptatetracontanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenylheptatetracontanamide?
The InChIKey is HYGUTEOLGHJPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H99NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-48-51-53(55)54-52-49-46-45-47-50-52/h45-47,49-50H,2-44,48,51H2,1H3,(H,54,55).
What are the key properties of N-phenylheptatetracontanamide?
N-phenylheptatetracontanamide has a molecular weight of 766.38 g/mol, XLogP of 19.20, 46 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylheptatetracontanamide is sourced from PubChem (CID 150503307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).