1-phenylnonylcarbamic acid

C16H25NO2 — CID 67252081

IUPAC1-phenylnonylcarbamic acid
SMILESCCCCCCCCC(NC(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-10-13-15(17-16(18)19)14-11-8-7-9-12-14/h7-9,11-12,15,17H,2-6,10,13H2,1H3,(H,18,19)
InChIKeyNRHLLQGOXROYEX-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.75
Rot. Bonds9

About 1-phenylnonylcarbamic acid

1-phenylnonylcarbamic acid (PubChem CID 67252081) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-phenylnonylcarbamic acid.

Molecular Properties

Compound Name1-phenylnonylcarbamic acid
PubChem CID67252081
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-phenylnonylcarbamic acid
SMILESCCCCCCCCC(NC(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-10-13-15(17-16(18)19)14-11-8-7-9-12-14/h7-9,11-12,15,17H,2-6,10,13H2,1H3,(H,18,19)
InChIKeyNRHLLQGOXROYEX-UHFFFAOYSA-N
XLogP4.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.75
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-phenyloctylcarbamic acid
CID 90271204
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-phenylnonylcarbamic acid?
The IUPAC name of 1-phenylnonylcarbamic acid (CID 67252081) is 1-phenylnonylcarbamic acid.
What is the SMILES notation for 1-phenylnonylcarbamic acid?
The canonical SMILES for 1-phenylnonylcarbamic acid is CCCCCCCCC(NC(=O)O)c1ccccc1.
What is the InChIKey of 1-phenylnonylcarbamic acid?
The InChIKey is NRHLLQGOXROYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-5-6-10-13-15(17-16(18)19)14-11-8-7-9-12-14/h7-9,11-12,15,17H,2-6,10,13H2,1H3,(H,18,19).
What are the key properties of 1-phenylnonylcarbamic acid?
1-phenylnonylcarbamic acid has a molecular weight of 263.38 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylnonylcarbamic acid is sourced from PubChem (CID 67252081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).