1-phenyloctylcarbamic acid

C15H23NO2 — CID 90271204

IUPAC1-phenyloctylcarbamic acid
SMILESCCCCCCCC(NC(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-9-12-14(16-15(17)18)13-10-7-6-8-11-13/h6-8,10-11,14,16H,2-5,9,12H2,1H3,(H,17,18)
InChIKeyFHUBJNVDLHKOGE-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.36
Rot. Bonds8

About 1-phenyloctylcarbamic acid

1-phenyloctylcarbamic acid (PubChem CID 90271204) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-phenyloctylcarbamic acid.

Molecular Properties

Compound Name1-phenyloctylcarbamic acid
PubChem CID90271204
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-phenyloctylcarbamic acid
SMILESCCCCCCCC(NC(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-9-12-14(16-15(17)18)13-10-7-6-8-11-13/h6-8,10-11,14,16H,2-5,9,12H2,1H3,(H,17,18)
InChIKeyFHUBJNVDLHKOGE-UHFFFAOYSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylnonylcarbamic acid
CID 67252081
1-phenylhexylcarbamic acid
CID 21477897
(5-amino-1-phenylpentyl)carbamic acid
CID 121416369
1-(4-nitrophenyl)dodecylcarbamic acid
CID 170428309
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]tetradecylcarbamic acid
CID 18184028
(4-amino-1-phenylbutyl)carbamic acid
CID 121416370
1-phenylhexylthiourea
CID 122437154
[(1S)-1-phenyldecyl]hydrazine
CID 124596381
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
N-pentyl-1-phenyldecan-1-amine
CID 10380274
(3-methoxy-1-phenylpropyl)carbamic acid
CID 67224649
6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide
CID 95153673

Frequently Asked Questions

What is the IUPAC name of 1-phenyloctylcarbamic acid?
The IUPAC name of 1-phenyloctylcarbamic acid (CID 90271204) is 1-phenyloctylcarbamic acid.
What is the SMILES notation for 1-phenyloctylcarbamic acid?
The canonical SMILES for 1-phenyloctylcarbamic acid is CCCCCCCC(NC(=O)O)c1ccccc1.
What is the InChIKey of 1-phenyloctylcarbamic acid?
The InChIKey is FHUBJNVDLHKOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-4-5-9-12-14(16-15(17)18)13-10-7-6-8-11-13/h6-8,10-11,14,16H,2-5,9,12H2,1H3,(H,17,18).
What are the key properties of 1-phenyloctylcarbamic acid?
1-phenyloctylcarbamic acid has a molecular weight of 249.35 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyloctylcarbamic acid is sourced from PubChem (CID 90271204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).