(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide

C30H60N2O4 — CID 11420901

IUPAC(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide
SMILESCCCCCCN(CCCCCC)C(=O)[C@H](OC)[C@@H](OC)C(=O)N(CCCCCC)CCCCCC
InChIInChI=1S/C30H60N2O4/c1-7-11-15-19-23-31(24-20-16-12-8-2)29(33)27(35-5)28(36-6)30(34)32(25-21-17-13-9-3)26-22-18-14-10-4/h27-28H,7-26H2,1-6H3/t27-,28-/m1/s1
InChIKeyLTVBFVIEFRVYBI-VSGBNLITSA-N
MW512.82 g/mol
LogP6.99
Rot. Bonds25

About (2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide

(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide (PubChem CID 11420901) has the molecular formula C30H60N2O4 and a molecular weight of 512.82 g/mol. Its IUPAC name is (2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide.

Molecular Properties

Compound Name(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide
PubChem CID11420901
Molecular FormulaC30H60N2O4
Molecular Weight512.82 g/mol
Exact Mass512.46
IUPAC Name(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide
SMILESCCCCCCN(CCCCCC)C(=O)[C@H](OC)[C@@H](OC)C(=O)N(CCCCCC)CCCCCC
InChIInChI=1S/C30H60N2O4/c1-7-11-15-19-23-31(24-20-16-12-8-2)29(33)27(35-5)28(36-6)30(34)32(25-21-17-13-9-3)26-22-18-14-10-4/h27-28H,7-26H2,1-6H3/t27-,28-/m1/s1
InChIKeyLTVBFVIEFRVYBI-VSGBNLITSA-N
XLogP6.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.82
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dichloro-N,N-dihexylacetamide
CID 533320
N-decyl-N-(2-methoxyethyl)-2-methylpropanamide
CID 10039592
2-amino-N,N-dihexylpropanamide
CID 54872127
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
2-chloro-N,N-dihexylpropanamide
CID 533081
N,N,N',N'-tetrahexyloxamide
CID 6424911
N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide
CID 614798
2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide
CID 89240534
4-(dipentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497775
2-dodecyl-N,N-dihexylbutanediamide
CID 139888194
N-hexyl-N',2-dimethyl-N,N'-dioctylpropanediamide
CID 87219265
2,3-dihydroxy-N',N'-dioctylbutanediamide
CID 54049006

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide?
The IUPAC name of (2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide (CID 11420901) is (2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide.
What is the SMILES notation for (2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide?
The canonical SMILES for (2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide is CCCCCCN(CCCCCC)C(=O)[C@H](OC)[C@@H](OC)C(=O)N(CCCCCC)CCCCCC.
What is the InChIKey of (2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide?
The InChIKey is LTVBFVIEFRVYBI-VSGBNLITSA-N. The full InChI is InChI=1S/C30H60N2O4/c1-7-11-15-19-23-31(24-20-16-12-8-2)29(33)27(35-5)28(36-6)30(34)32(25-21-17-13-9-3)26-22-18-14-10-4/h27-28H,7-26H2,1-6H3/t27-,28-/m1/s1.
What are the key properties of (2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide?
(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide has a molecular weight of 512.82 g/mol, XLogP of 6.99, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide is sourced from PubChem (CID 11420901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).