4-amino-N-(4-pentylphenyl)butanamide

C15H24N2O — CID 61248586

IUPAC4-amino-N-(4-pentylphenyl)butanamide
SMILESCCCCCc1ccc(NC(=O)CCCN)cc1
InChIInChI=1S/C15H24N2O/c1-2-3-4-6-13-8-10-14(11-9-13)17-15(18)7-5-12-16/h8-11H,2-7,12,16H2,1H3,(H,17,18)
InChIKeyCTFSHMDYFRNZSW-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.10
Rot. Bonds8

About 4-amino-N-(4-pentylphenyl)butanamide

4-amino-N-(4-pentylphenyl)butanamide (PubChem CID 61248586) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-N-(4-pentylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-pentylphenyl)butanamide
PubChem CID61248586
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-amino-N-(4-pentylphenyl)butanamide
SMILESCCCCCc1ccc(NC(=O)CCCN)cc1
InChIInChI=1S/C15H24N2O/c1-2-3-4-6-13-8-10-14(11-9-13)17-15(18)7-5-12-16/h8-11H,2-7,12,16H2,1H3,(H,17,18)
InChIKeyCTFSHMDYFRNZSW-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
N-(4-heptylphenyl)heptanamide
CID 101077737
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
CID 82180180
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
N-(4-acetamidophenyl)hexanamide
CID 4953736
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
N'-(4-dodecylphenyl)oxamide
CID 118096540

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-pentylphenyl)butanamide?
The IUPAC name of 4-amino-N-(4-pentylphenyl)butanamide (CID 61248586) is 4-amino-N-(4-pentylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(4-pentylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(4-pentylphenyl)butanamide is CCCCCc1ccc(NC(=O)CCCN)cc1.
What is the InChIKey of 4-amino-N-(4-pentylphenyl)butanamide?
The InChIKey is CTFSHMDYFRNZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-4-6-13-8-10-14(11-9-13)17-15(18)7-5-12-16/h8-11H,2-7,12,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(4-pentylphenyl)butanamide?
4-amino-N-(4-pentylphenyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-pentylphenyl)butanamide is sourced from PubChem (CID 61248586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).