19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione

C38H71NO2 — CID 173351868

IUPAC19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione
SMILESCCCCCCCCC=CCCCCCCCC(=O)C(C)(N)C(=O)CCCCCCCC=CCCCCCCCC
InChIInChI=1S/C38H71NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(40)38(3,39)37(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-35,39H2,1-3H3
InChIKeyZIZAWDTZQOTAFX-UHFFFAOYSA-N
MW573.99 g/mol
LogP11.92
Rot. Bonds32

About 19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione

19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione (PubChem CID 173351868) has the molecular formula C38H71NO2 and a molecular weight of 573.99 g/mol. Its IUPAC name is 19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione.

Molecular Properties

Compound Name19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione
PubChem CID173351868
Molecular FormulaC38H71NO2
Molecular Weight573.99 g/mol
Exact Mass573.55
IUPAC Name19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione
SMILESCCCCCCCCC=CCCCCCCCC(=O)C(C)(N)C(=O)CCCCCCCC=CCCCCCCCC
InChIInChI=1S/C38H71NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(40)38(3,39)37(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-35,39H2,1-3H3
InChIKeyZIZAWDTZQOTAFX-UHFFFAOYSA-N
XLogP11.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.99
LogP ≤ 511.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-3-oxoicos-11-enoic acid
CID 173291281
19-amino-19-(aminomethyl)heptatriaconta-9,28-diene-18,20-dione
CID 54450542
(Z)-4,4-diaminodocos-13-en-5-one
CID 175408915
sodium;(Z)-2-amino-2-methyl-3-oxoicos-11-enoic acid;hydride;octadecan-1-amine
CID 174902182
3-amino-1-hydroxy-3-(2-hydroxyethyl)henicos-12-en-4-one;hydrochloride
CID 173062748
octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(9Z,28Z)-19-(dimethylamino)-19-ethylheptatriaconta-9,28-diene-18,20-dione
CID 87665388

Frequently Asked Questions

What is the IUPAC name of 19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione?
The IUPAC name of 19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione (CID 173351868) is 19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione.
What is the SMILES notation for 19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione?
The canonical SMILES for 19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione is CCCCCCCCC=CCCCCCCCC(=O)C(C)(N)C(=O)CCCCCCCC=CCCCCCCCC.
What is the InChIKey of 19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione?
The InChIKey is ZIZAWDTZQOTAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H71NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(40)38(3,39)37(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-35,39H2,1-3H3.
What are the key properties of 19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione?
19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione has a molecular weight of 573.99 g/mol, XLogP of 11.92, 32 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione is sourced from PubChem (CID 173351868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).