(2R)-2-(2-methylpropyl)-8-oxotricosanamide

C27H53NO2 — CID 167580908

IUPAC(2R)-2-(2-methylpropyl)-8-oxotricosanamide
SMILESCCCCCCCCCCCCCCCC(=O)CCCCC[C@H](CC(C)C)C(N)=O
InChIInChI=1S/C27H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26(29)22-19-16-17-20-25(27(28)30)23-24(2)3/h24-25H,4-23H2,1-3H3,(H2,28,30)/t25-/m1/s1
InChIKeyHDZXCWYIRITYKT-RUZDIDTESA-N
MW423.73 g/mol
LogP8.13
Rot. Bonds23

About (2R)-2-(2-methylpropyl)-8-oxotricosanamide

(2R)-2-(2-methylpropyl)-8-oxotricosanamide (PubChem CID 167580908) has the molecular formula C27H53NO2 and a molecular weight of 423.73 g/mol. Its IUPAC name is (2R)-2-(2-methylpropyl)-8-oxotricosanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylpropyl)-8-oxotricosanamide
PubChem CID167580908
Molecular FormulaC27H53NO2
Molecular Weight423.73 g/mol
Exact Mass423.41
IUPAC Name(2R)-2-(2-methylpropyl)-8-oxotricosanamide
SMILESCCCCCCCCCCCCCCCC(=O)CCCCC[C@H](CC(C)C)C(N)=O
InChIInChI=1S/C27H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26(29)22-19-16-17-20-25(27(28)30)23-24(2)3/h24-25H,4-23H2,1-3H3,(H2,28,30)/t25-/m1/s1
InChIKeyHDZXCWYIRITYKT-RUZDIDTESA-N
XLogP8.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

35-methylhexatriacontan-18-one
CID 154265958
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
12-carbamoyltricosanoic acid
CID 118615002
2-ethyloctadecanamide;hexadecanamide
CID 174921591
2-ethylhexadecanamide;octadecanamide
CID 159948815
7-carbamoylpentadecanoic acid
CID 140987363
2-undecylhexanediamide
CID 174629940
(4R)-2-methyl-4-(2-methylpropyl)decan-3-one
CID 158016605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropyl)-8-oxotricosanamide?
The IUPAC name of (2R)-2-(2-methylpropyl)-8-oxotricosanamide (CID 167580908) is (2R)-2-(2-methylpropyl)-8-oxotricosanamide.
What is the SMILES notation for (2R)-2-(2-methylpropyl)-8-oxotricosanamide?
The canonical SMILES for (2R)-2-(2-methylpropyl)-8-oxotricosanamide is CCCCCCCCCCCCCCCC(=O)CCCCC[C@H](CC(C)C)C(N)=O.
What is the InChIKey of (2R)-2-(2-methylpropyl)-8-oxotricosanamide?
The InChIKey is HDZXCWYIRITYKT-RUZDIDTESA-N. The full InChI is InChI=1S/C27H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26(29)22-19-16-17-20-25(27(28)30)23-24(2)3/h24-25H,4-23H2,1-3H3,(H2,28,30)/t25-/m1/s1.
What are the key properties of (2R)-2-(2-methylpropyl)-8-oxotricosanamide?
(2R)-2-(2-methylpropyl)-8-oxotricosanamide has a molecular weight of 423.73 g/mol, XLogP of 8.13, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropyl)-8-oxotricosanamide is sourced from PubChem (CID 167580908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).