(2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide

C18H40N2O2Si2 — CID 10667035

IUPAC(2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide
SMILESCCCCNC(=O)[C@H]([C@H](C(=O)NCCCC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H40N2O2Si2/c1-9-11-13-19-17(21)15(23(3,4)5)16(24(6,7)8)18(22)20-14-12-10-2/h15-16H,9-14H2,1-8H3,(H,19,21)(H,20,22)/t15-,16+
InChIKeyHWSKOSVDYRPQHG-IYBDPMFKSA-N
MW372.70 g/mol
LogP4.24
Rot. Bonds11

About (2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide

(2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide (PubChem CID 10667035) has the molecular formula C18H40N2O2Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is (2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide.

Molecular Properties

Compound Name(2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide
PubChem CID10667035
Molecular FormulaC18H40N2O2Si2
Molecular Weight372.70 g/mol
Exact Mass372.26
IUPAC Name(2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide
SMILESCCCCNC(=O)[C@H]([C@H](C(=O)NCCCC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H40N2O2Si2/c1-9-11-13-19-17(21)15(23(3,4)5)16(24(6,7)8)18(22)20-14-12-10-2/h15-16H,9-14H2,1-8H3,(H,19,21)(H,20,22)/t15-,16+
InChIKeyHWSKOSVDYRPQHG-IYBDPMFKSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibutyl-2-fluoropropanediamide
CID 141391063
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
N-butyl-2-silylpropanamide
CID 123860399
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
1-butyl-3-trimethylsilylurea
CID 13070988
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
(2R)-2-amino-N-butylpentanamide
CID 82668431
N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748453
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
butylcarbamic acid;zinc
CID 141049802
butylcarbamoylazanium
CID 143909883

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide?
The IUPAC name of (2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide (CID 10667035) is (2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide.
What is the SMILES notation for (2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide?
The canonical SMILES for (2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide is CCCCNC(=O)[C@H]([C@H](C(=O)NCCCC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide?
The InChIKey is HWSKOSVDYRPQHG-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H40N2O2Si2/c1-9-11-13-19-17(21)15(23(3,4)5)16(24(6,7)8)18(22)20-14-12-10-2/h15-16H,9-14H2,1-8H3,(H,19,21)(H,20,22)/t15-,16+.
What are the key properties of (2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide?
(2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide has a molecular weight of 372.70 g/mol, XLogP of 4.24, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide is sourced from PubChem (CID 10667035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).