(2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide

C20H41NO5 — CID 175624547

IUPAC(2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide
SMILESCCCCOC[C@@H](OC)[C@@H](OCCCC)[C@@H](OCCCC)C(=O)N(C)C
InChIInChI=1S/C20H41NO5/c1-7-10-13-24-16-17(23-6)18(25-14-11-8-2)19(20(22)21(4)5)26-15-12-9-3/h17-19H,7-16H2,1-6H3/t17-,18-,19-/m1/s1
InChIKeyFWCXFQHEOFCFAG-GUDVDZBRSA-N
MW375.55 g/mol
LogP3.28
Rot. Bonds17

About (2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide

(2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide (PubChem CID 175624547) has the molecular formula C20H41NO5 and a molecular weight of 375.55 g/mol. Its IUPAC name is (2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide.

Molecular Properties

Compound Name(2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide
PubChem CID175624547
Molecular FormulaC20H41NO5
Molecular Weight375.55 g/mol
Exact Mass375.30
IUPAC Name(2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide
SMILESCCCCOC[C@@H](OC)[C@@H](OCCCC)[C@@H](OCCCC)C(=O)N(C)C
InChIInChI=1S/C20H41NO5/c1-7-10-13-24-16-17(23-6)18(25-14-11-8-2)19(20(22)21(4)5)26-15-12-9-3/h17-19H,7-16H2,1-6H3/t17-,18-,19-/m1/s1
InChIKeyFWCXFQHEOFCFAG-GUDVDZBRSA-N
XLogP3.28
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hexoxy-N,N,2-trimethylpropanamide
CID 89427319
4-[2-(dimethylamino)ethoxy]-2,3-dihexadecoxybutanamide
CID 151698007
3-dodecoxy-1,2-dimethoxypropan-1-amine
CID 54347264
4-[5-butoxy-2,3,4-tris(3-cyanopropoxy)pentoxy]butanenitrile
CID 170037344
3-butoxy-2-(dimethylamino)propanoic acid
CID 171646821
methyl (3S)-2-[(1R,2S)-1-bromo-2,3-dibutoxypropoxy]-3-hydroxybutanoate
CID 122533067
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1,2-dibutoxyhexane
CID 19805858
(2S)-2-butoxy-N-methoxy-N-methylpropanamide
CID 172508606
[4-[3-(dimethylamino)propanoyloxy]-1,2,5,6-tetrakis[(9Z,12Z)-octadeca-9,12-dienoxy]hexan-3-yl] 3-(dimethylamino)propanoate
CID 129299193
4,5,6-tripentoxyhexane-1,2,3-triol
CID 88729253
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide?
The IUPAC name of (2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide (CID 175624547) is (2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide.
What is the SMILES notation for (2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide?
The canonical SMILES for (2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide is CCCCOC[C@@H](OC)[C@@H](OCCCC)[C@@H](OCCCC)C(=O)N(C)C.
What is the InChIKey of (2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide?
The InChIKey is FWCXFQHEOFCFAG-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H41NO5/c1-7-10-13-24-16-17(23-6)18(25-14-11-8-2)19(20(22)21(4)5)26-15-12-9-3/h17-19H,7-16H2,1-6H3/t17-,18-,19-/m1/s1.
What are the key properties of (2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide?
(2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide has a molecular weight of 375.55 g/mol, XLogP of 3.28, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3,5-tributoxy-4-methoxy-N,N-dimethylpentanamide is sourced from PubChem (CID 175624547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).