8-phenyloctylcarbamic acid

C15H23NO2 — CID 90271205

IUPAC8-phenyloctylcarbamic acid
SMILESO=C(O)NCCCCCCCCc1ccccc1
InChIInChI=1S/C15H23NO2/c17-15(18)16-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,16H,1-4,6,9-10,13H2,(H,17,18)
InChIKeyYUWBGADGCRTHLT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.84
Rot. Bonds9

About 8-phenyloctylcarbamic acid

8-phenyloctylcarbamic acid (PubChem CID 90271205) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 8-phenyloctylcarbamic acid.

Molecular Properties

Compound Name8-phenyloctylcarbamic acid
PubChem CID90271205
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name8-phenyloctylcarbamic acid
SMILESO=C(O)NCCCCCCCCc1ccccc1
InChIInChI=1S/C15H23NO2/c17-15(18)16-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,16H,1-4,6,9-10,13H2,(H,17,18)
InChIKeyYUWBGADGCRTHLT-UHFFFAOYSA-N
XLogP3.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.84
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

3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
4-[4-(4-oxopentyl)phenyl]butylcarbamic acid
CID 91326870
2-amino-2-methyl-N-(5-phenylpentyl)propanamide
CID 119317062
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
2-amino-2-methyl-N-(5-phenylpentyl)propanamide;hydrochloride
CID 119317061
3-(6-phenylhexylamino)propanoic acid
CID 19811158
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-phenylbutyl)hexanediamide
CID 3286947
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
3-phenylpropylurea;hydrochloride
CID 174579396

Frequently Asked Questions

What is the IUPAC name of 8-phenyloctylcarbamic acid?
The IUPAC name of 8-phenyloctylcarbamic acid (CID 90271205) is 8-phenyloctylcarbamic acid.
What is the SMILES notation for 8-phenyloctylcarbamic acid?
The canonical SMILES for 8-phenyloctylcarbamic acid is O=C(O)NCCCCCCCCc1ccccc1.
What is the InChIKey of 8-phenyloctylcarbamic acid?
The InChIKey is YUWBGADGCRTHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-15(18)16-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,16H,1-4,6,9-10,13H2,(H,17,18).
What are the key properties of 8-phenyloctylcarbamic acid?
8-phenyloctylcarbamic acid has a molecular weight of 249.35 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyloctylcarbamic acid is sourced from PubChem (CID 90271205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).