19-aminooctatriacontane-18,21-dione

C38H75NO2 — CID 163964320

IUPAC19-aminooctatriacontane-18,21-dione
SMILESCCCCCCCCCCCCCCCCCC(=O)CC(N)C(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H75NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(40)35-37(39)38(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-35,39H2,1-2H3
InChIKeySKHQIOQIKWROPR-UHFFFAOYSA-N
MW578.02 g/mol
LogP12.36
Rot. Bonds35

About 19-aminooctatriacontane-18,21-dione

19-aminooctatriacontane-18,21-dione (PubChem CID 163964320) has the molecular formula C38H75NO2 and a molecular weight of 578.02 g/mol. Its IUPAC name is 19-aminooctatriacontane-18,21-dione.

Molecular Properties

Compound Name19-aminooctatriacontane-18,21-dione
PubChem CID163964320
Molecular FormulaC38H75NO2
Molecular Weight578.02 g/mol
Exact Mass577.58
IUPAC Name19-aminooctatriacontane-18,21-dione
SMILESCCCCCCCCCCCCCCCCCC(=O)CC(N)C(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H75NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(40)35-37(39)38(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-35,39H2,1-2H3
InChIKeySKHQIOQIKWROPR-UHFFFAOYSA-N
XLogP12.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds35
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.02
LogP ≤ 512.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-hydroxyoctadecan-3-one
CID 631
(2S)-1,2-diaminotetradecan-3-one
CID 94859791
(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
CID 56846070
15-methyltriacontane-14,17-dione
CID 57233805
4-amino-2-methyltetradecan-5-one
CID 116553430
4-aminotridecan-6-one
CID 116607784
4-aminotetradec-1-en-5-one
CID 116606806
(2S)-2,5-diamino-6-oxohenicosanoic acid
CID 22792812
2-methylhexadecan-4-one
CID 63411798
azane;15-propan-2-yltriacontane-14,17-dione
CID 166691893
4-aminododec-1-yn-5-one
CID 116606528
(2S,3R)-2-amino-3-hydroxy-5-oxooctadecanoic acid
CID 174767583

Frequently Asked Questions

What is the IUPAC name of 19-aminooctatriacontane-18,21-dione?
The IUPAC name of 19-aminooctatriacontane-18,21-dione (CID 163964320) is 19-aminooctatriacontane-18,21-dione.
What is the SMILES notation for 19-aminooctatriacontane-18,21-dione?
The canonical SMILES for 19-aminooctatriacontane-18,21-dione is CCCCCCCCCCCCCCCCCC(=O)CC(N)C(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of 19-aminooctatriacontane-18,21-dione?
The InChIKey is SKHQIOQIKWROPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H75NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(40)35-37(39)38(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-35,39H2,1-2H3.
What are the key properties of 19-aminooctatriacontane-18,21-dione?
19-aminooctatriacontane-18,21-dione has a molecular weight of 578.02 g/mol, XLogP of 12.36, 35 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-aminooctatriacontane-18,21-dione is sourced from PubChem (CID 163964320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).