(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide

C25H46N2O6 — CID 139760841

IUPAC(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide
SMILESCCCCCCCCC[C@@H](C(=O)N[C@H](C(=O)NCCOC)C(C)(C)C)[C@@H]1OC(C)(C)OC1=O
InChIInChI=1S/C25H46N2O6/c1-8-9-10-11-12-13-14-15-18(19-23(30)33-25(5,6)32-19)21(28)27-20(24(2,3)4)22(29)26-16-17-31-7/h18-20H,8-17H2,1-7H3,(H,26,29)(H,27,28)/t18-,19+,20-/m1/s1
InChIKeyYLTATSUSKYIWLW-HSALFYBXSA-N
MW470.65 g/mol
LogP3.71
Rot. Bonds15

About (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide

(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide (PubChem CID 139760841) has the molecular formula C25H46N2O6 and a molecular weight of 470.65 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide
PubChem CID139760841
Molecular FormulaC25H46N2O6
Molecular Weight470.65 g/mol
Exact Mass470.34
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide
SMILESCCCCCCCCC[C@@H](C(=O)N[C@H](C(=O)NCCOC)C(C)(C)C)[C@@H]1OC(C)(C)OC1=O
InChIInChI=1S/C25H46N2O6/c1-8-9-10-11-12-13-14-15-18(19-23(30)33-25(5,6)32-19)21(28)27-20(24(2,3)4)22(29)26-16-17-31-7/h18-20H,8-17H2,1-7H3,(H,26,29)(H,27,28)/t18-,19+,20-/m1/s1
InChIKeyYLTATSUSKYIWLW-HSALFYBXSA-N
XLogP3.71
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.65
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide with MolForge

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Related Compounds

2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid
CID 101347893
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
3,3-dimethyl-N-octyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 172907302
N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide
CID 115712027
N-octadecyl-2-octylicosanamide
CID 154636535
N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide
CID 111212331
tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91730277
decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91730274
2-[[(2-methoxyethylamino)-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111541180
2-amino-5-methoxy-N-octan-2-ylpentanamide
CID 81083239
N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
3-(2-tert-butylnonanoylamino)propyl 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoate
CID 23174353

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide (CID 139760841) is (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide is CCCCCCCCC[C@@H](C(=O)N[C@H](C(=O)NCCOC)C(C)(C)C)[C@@H]1OC(C)(C)OC1=O.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide?
The InChIKey is YLTATSUSKYIWLW-HSALFYBXSA-N. The full InChI is InChI=1S/C25H46N2O6/c1-8-9-10-11-12-13-14-15-18(19-23(30)33-25(5,6)32-19)21(28)27-20(24(2,3)4)22(29)26-16-17-31-7/h18-20H,8-17H2,1-7H3,(H,26,29)(H,27,28)/t18-,19+,20-/m1/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide?
(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide has a molecular weight of 470.65 g/mol, XLogP of 3.71, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide is sourced from PubChem (CID 139760841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).