tetracosan-7-ylcarbamic acid

C25H51NO2 — CID 174971308

IUPACtetracosan-7-ylcarbamic acid
SMILESCCCCCCCCCCCCCCCCCC(CCCCCC)NC(=O)O
InChIInChI=1S/C25H51NO2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-24(26-25(27)28)22-20-8-6-4-2/h24,26H,3-23H2,1-2H3,(H,27,28)
InChIKeyMVLLDPLWXIXXOC-UHFFFAOYSA-N
MW397.69 g/mol
LogP8.85
Rot. Bonds22

About tetracosan-7-ylcarbamic acid

tetracosan-7-ylcarbamic acid (PubChem CID 174971308) has the molecular formula C25H51NO2 and a molecular weight of 397.69 g/mol. Its IUPAC name is tetracosan-7-ylcarbamic acid.

Molecular Properties

Compound Nametetracosan-7-ylcarbamic acid
PubChem CID174971308
Molecular FormulaC25H51NO2
Molecular Weight397.69 g/mol
Exact Mass397.39
IUPAC Nametetracosan-7-ylcarbamic acid
SMILESCCCCCCCCCCCCCCCCCC(CCCCCC)NC(=O)O
InChIInChI=1S/C25H51NO2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-24(26-25(27)28)22-20-8-6-4-2/h24,26H,3-23H2,1-2H3,(H,27,28)
InChIKeyMVLLDPLWXIXXOC-UHFFFAOYSA-N
XLogP8.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 58.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tetracosan-7-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]carbamic acid
CID 138524490
[(4S)-1-hydroxyheptan-4-yl]carbamic acid
CID 87839547
N-pentadecan-4-ylacetamide
CID 87419548
1-methylsulfanylheptan-3-ylcarbamic acid
CID 155346909
1-bromooctylcarbamic acid;hydrobromide
CID 88765955
2,4-dimethyl-N-pentadecan-8-ylpentanamide
CID 135127559
1-aminohexylcarbamic acid
CID 19696912
N-tridecan-5-ylprop-2-enamide
CID 141277245
(3S)-3-acetamidononanoic acid
CID 2195186
(decan-5-ylamino)carbamic acid
CID 174628404
10-(carboxyamino)decan-3-ylcarbamic acid
CID 175071012
1-octylsulfanyldecylcarbamic acid
CID 18968626

Frequently Asked Questions

What is the IUPAC name of tetracosan-7-ylcarbamic acid?
The IUPAC name of tetracosan-7-ylcarbamic acid (CID 174971308) is tetracosan-7-ylcarbamic acid.
What is the SMILES notation for tetracosan-7-ylcarbamic acid?
The canonical SMILES for tetracosan-7-ylcarbamic acid is CCCCCCCCCCCCCCCCCC(CCCCCC)NC(=O)O.
What is the InChIKey of tetracosan-7-ylcarbamic acid?
The InChIKey is MVLLDPLWXIXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-24(26-25(27)28)22-20-8-6-4-2/h24,26H,3-23H2,1-2H3,(H,27,28).
What are the key properties of tetracosan-7-ylcarbamic acid?
tetracosan-7-ylcarbamic acid has a molecular weight of 397.69 g/mol, XLogP of 8.85, 22 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosan-7-ylcarbamic acid is sourced from PubChem (CID 174971308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).