3-pentyl-N-phenylnonanamide

C20H33NO — CID 155185761

IUPAC3-pentyl-N-phenylnonanamide
SMILESCCCCCCC(CCCCC)CC(=O)Nc1ccccc1
InChIInChI=1S/C20H33NO/c1-3-5-7-10-14-18(13-9-6-4-2)17-20(22)21-19-15-11-8-12-16-19/h8,11-12,15-16,18H,3-7,9-10,13-14,17H2,1-2H3,(H,21,22)
InChIKeyWSBYOHCQLSAMEK-UHFFFAOYSA-N
MW303.49 g/mol
LogP6.18
Rot. Bonds12

About 3-pentyl-N-phenylnonanamide

3-pentyl-N-phenylnonanamide (PubChem CID 155185761) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 3-pentyl-N-phenylnonanamide.

Molecular Properties

Compound Name3-pentyl-N-phenylnonanamide
PubChem CID155185761
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name3-pentyl-N-phenylnonanamide
SMILESCCCCCCC(CCCCC)CC(=O)Nc1ccccc1
InChIInChI=1S/C20H33NO/c1-3-5-7-10-14-18(13-9-6-4-2)17-20(22)21-19-15-11-8-12-16-19/h8,11-12,15-16,18H,3-7,9-10,13-14,17H2,1-2H3,(H,21,22)
InChIKeyWSBYOHCQLSAMEK-UHFFFAOYSA-N
XLogP6.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 56.18
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

4-amino-N-phenyldodecanamide
CID 154099763
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-hydroxy-2-pentyl-N'-phenyloctanediamide
CID 134143927
4-(4-anilinoanilino)-2-(hexylamino)-4-oxobutanoic acid
CID 18581013
5-oxo-N-phenylheptadecanamide
CID 3308902
formamide;N-phenylheptanamide
CID 143464966
(1-anilino-1-oxooctadecan-3-yl) 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]acetate
CID 70452351
3-(3-phenylpropyl)octadecanoic acid
CID 146469520
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
2,4-dihydroxy-N-phenyldodecanamide
CID 91612582

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-N-phenylnonanamide?
The IUPAC name of 3-pentyl-N-phenylnonanamide (CID 155185761) is 3-pentyl-N-phenylnonanamide.
What is the SMILES notation for 3-pentyl-N-phenylnonanamide?
The canonical SMILES for 3-pentyl-N-phenylnonanamide is CCCCCCC(CCCCC)CC(=O)Nc1ccccc1.
What is the InChIKey of 3-pentyl-N-phenylnonanamide?
The InChIKey is WSBYOHCQLSAMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-3-5-7-10-14-18(13-9-6-4-2)17-20(22)21-19-15-11-8-12-16-19/h8,11-12,15-16,18H,3-7,9-10,13-14,17H2,1-2H3,(H,21,22).
What are the key properties of 3-pentyl-N-phenylnonanamide?
3-pentyl-N-phenylnonanamide has a molecular weight of 303.49 g/mol, XLogP of 6.18, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-N-phenylnonanamide is sourced from PubChem (CID 155185761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).