(4S)-4,23-diamino-2-methyltricosan-5-one

C24H50N2O — CID 150736114

IUPAC(4S)-4,23-diamino-2-methyltricosan-5-one
SMILESCC(C)C[C@H](N)C(=O)CCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C24H50N2O/c1-22(2)21-23(26)24(27)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-25/h22-23H,3-21,25-26H2,1-2H3/t23-/m0/s1
InChIKeyIBNSOHGUXAWCBW-QHCPKHFHSA-N
MW382.68 g/mol
LogP6.52
Rot. Bonds21

About (4S)-4,23-diamino-2-methyltricosan-5-one

(4S)-4,23-diamino-2-methyltricosan-5-one (PubChem CID 150736114) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is (4S)-4,23-diamino-2-methyltricosan-5-one.

Molecular Properties

Compound Name(4S)-4,23-diamino-2-methyltricosan-5-one
PubChem CID150736114
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC Name(4S)-4,23-diamino-2-methyltricosan-5-one
SMILESCC(C)C[C@H](N)C(=O)CCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C24H50N2O/c1-22(2)21-23(26)24(27)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-25/h22-23H,3-21,25-26H2,1-2H3/t23-/m0/s1
InChIKeyIBNSOHGUXAWCBW-QHCPKHFHSA-N
XLogP6.52
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyltetradecan-5-one
CID 116553430
4-amino-1-[10-(4-amino-6-methyl-3-oxoheptyl)sulfanyldecylsulfanyl]-6-methylheptan-3-one;dihydrochloride
CID 88637784
11-amino-3-methylundecan-4-one
CID 176580818
(3S)-3-amino-1-hydroxy-5-methylhexan-2-one
CID 52947679
10-amino-2-methyldecan-4-one
CID 116551412
bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)
CID 173251323
(2S)-1,2-diaminotetradecan-3-one
CID 94859791
(2S)-2-(6-aminohexanoylamino)-4-methylpentanamide
CID 89070507
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2S)-2-amino-6-[[(2S,9S)-2,9,13-triamino-8-oxotridecanoyl]amino]hexanoic acid
CID 58195957
10-amino-1-methoxy-3-methyldecan-4-one
CID 116551483

Frequently Asked Questions

What is the IUPAC name of (4S)-4,23-diamino-2-methyltricosan-5-one?
The IUPAC name of (4S)-4,23-diamino-2-methyltricosan-5-one (CID 150736114) is (4S)-4,23-diamino-2-methyltricosan-5-one.
What is the SMILES notation for (4S)-4,23-diamino-2-methyltricosan-5-one?
The canonical SMILES for (4S)-4,23-diamino-2-methyltricosan-5-one is CC(C)C[C@H](N)C(=O)CCCCCCCCCCCCCCCCCCN.
What is the InChIKey of (4S)-4,23-diamino-2-methyltricosan-5-one?
The InChIKey is IBNSOHGUXAWCBW-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H50N2O/c1-22(2)21-23(26)24(27)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-25/h22-23H,3-21,25-26H2,1-2H3/t23-/m0/s1.
What are the key properties of (4S)-4,23-diamino-2-methyltricosan-5-one?
(4S)-4,23-diamino-2-methyltricosan-5-one has a molecular weight of 382.68 g/mol, XLogP of 6.52, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,23-diamino-2-methyltricosan-5-one is sourced from PubChem (CID 150736114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).