(2-heptadecylphenyl)carbamic acid

C24H41NO2 — CID 71374202

IUPAC(2-heptadecylphenyl)carbamic acid
SMILESCCCCCCCCCCCCCCCCCc1ccccc1NC(=O)O
InChIInChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-23(22)25-24(26)27/h17-18,20-21,25H,2-16,19H2,1H3,(H,26,27)
InChIKeyCZATVMPIYLPKRF-UHFFFAOYSA-N
MW375.60 g/mol
LogP8.19
Rot. Bonds17

About (2-heptadecylphenyl)carbamic acid

(2-heptadecylphenyl)carbamic acid (PubChem CID 71374202) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is (2-heptadecylphenyl)carbamic acid.

Molecular Properties

Compound Name(2-heptadecylphenyl)carbamic acid
PubChem CID71374202
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name(2-heptadecylphenyl)carbamic acid
SMILESCCCCCCCCCCCCCCCCCc1ccccc1NC(=O)O
InChIInChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-23(22)25-24(26)27/h17-18,20-21,25H,2-16,19H2,1H3,(H,26,27)
InChIKeyCZATVMPIYLPKRF-UHFFFAOYSA-N
XLogP8.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 58.19
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

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Frequently Asked Questions

What is the IUPAC name of (2-heptadecylphenyl)carbamic acid?
The IUPAC name of (2-heptadecylphenyl)carbamic acid (CID 71374202) is (2-heptadecylphenyl)carbamic acid.
What is the SMILES notation for (2-heptadecylphenyl)carbamic acid?
The canonical SMILES for (2-heptadecylphenyl)carbamic acid is CCCCCCCCCCCCCCCCCc1ccccc1NC(=O)O.
What is the InChIKey of (2-heptadecylphenyl)carbamic acid?
The InChIKey is CZATVMPIYLPKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-23(22)25-24(26)27/h17-18,20-21,25H,2-16,19H2,1H3,(H,26,27).
What are the key properties of (2-heptadecylphenyl)carbamic acid?
(2-heptadecylphenyl)carbamic acid has a molecular weight of 375.60 g/mol, XLogP of 8.19, 17 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptadecylphenyl)carbamic acid is sourced from PubChem (CID 71374202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).