(6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate

C41H82N2O6 — CID 173280920

IUPAC(6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCCCCN.CCCCCCCCCCCCCCOC(=O)CCCCCNC(=O)O
InChIInChI=1S/C21H41NO4.C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-26-20(23)17-14-13-15-18-22-21(24)25;1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-20(22)17-14-13-15-18-21/h22H,2-19H2,1H3,(H,24,25);2-19,21H2,1H3
InChIKeyAUHBZDDRUJXXOW-UHFFFAOYSA-N
MW699.11 g/mol
LogP11.81
Rot. Bonds37

About (6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate

(6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate (PubChem CID 173280920) has the molecular formula C41H82N2O6 and a molecular weight of 699.11 g/mol. Its IUPAC name is (6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate.

Molecular Properties

Compound Name(6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate
PubChem CID173280920
Molecular FormulaC41H82N2O6
Molecular Weight699.11 g/mol
Exact Mass698.62
IUPAC Name(6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCCCCN.CCCCCCCCCCCCCCOC(=O)CCCCCNC(=O)O
InChIInChI=1S/C21H41NO4.C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-26-20(23)17-14-13-15-18-22-21(24)25;1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-20(22)17-14-13-15-18-21/h22H,2-19H2,1H3,(H,24,25);2-19,21H2,1H3
InChIKeyAUHBZDDRUJXXOW-UHFFFAOYSA-N
XLogP11.81
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds37
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.11
LogP ≤ 511.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate 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

4-nonanoyloxybutylcarbamic acid
CID 57088848
4-decanoyloxybutylcarbamic acid
CID 57087634
dodecyl 6-(5-aminopentylamino)hexanoate
CID 58105631
pentyl 7-aminoheptanoate
CID 61304511
4-aminobutyl octadecanoate
CID 57169146
4-aminobutyl decanoate
CID 57039982
butyl 6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoate
CID 11258474
heptyl 4-(6-aminohexylamino)butanoate
CID 175415497
dodecyl 6-acetamidohexanoate
CID 21259378
butyl 7-aminoheptanoate
CID 20502898
dodecyl 4-aminobutanoate
CID 71385737
pentyl 6-(methoxycarbonylamino)hexanoate
CID 91699204

Frequently Asked Questions

What is the IUPAC name of (6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate?
The IUPAC name of (6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate (CID 173280920) is (6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate.
What is the SMILES notation for (6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate?
The canonical SMILES for (6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate is CCCCCCCCCCCCCCOC(=O)CCCCCN.CCCCCCCCCCCCCCOC(=O)CCCCCNC(=O)O.
What is the InChIKey of (6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate?
The InChIKey is AUHBZDDRUJXXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO4.C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-26-20(23)17-14-13-15-18-22-21(24)25;1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-20(22)17-14-13-15-18-21/h22H,2-19H2,1H3,(H,24,25);2-19,21H2,1H3.
What are the key properties of (6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate?
(6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate has a molecular weight of 699.11 g/mol, XLogP of 11.81, 37 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate is sourced from PubChem (CID 173280920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).