methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate

C32H65NO5 — CID 118548562

IUPACmethyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate
SMILESCCCCCCCCCC[C@@H](O)CN(CCCCC(OC)C(=O)OC)C[C@H](O)CCCCCCCCCC
InChIInChI=1S/C32H65NO5/c1-5-7-9-11-13-15-17-19-23-29(34)27-33(26-22-21-25-31(37-3)32(36)38-4)28-30(35)24-20-18-16-14-12-10-8-6-2/h29-31,34-35H,5-28H2,1-4H3/t29-,30-,31?/m1/s1
InChIKeyYETINBHDQDCUSD-KCUXUGRMSA-N
MW543.87 g/mol
LogP7.43
Rot. Bonds29

About methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate

methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate (PubChem CID 118548562) has the molecular formula C32H65NO5 and a molecular weight of 543.87 g/mol. Its IUPAC name is methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate.

Molecular Properties

Compound Namemethyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate
PubChem CID118548562
Molecular FormulaC32H65NO5
Molecular Weight543.87 g/mol
Exact Mass543.49
IUPAC Namemethyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate
SMILESCCCCCCCCCC[C@@H](O)CN(CCCCC(OC)C(=O)OC)C[C@H](O)CCCCCCCCCC
InChIInChI=1S/C32H65NO5/c1-5-7-9-11-13-15-17-19-23-29(34)27-33(26-22-21-25-31(37-3)32(36)38-4)28-30(35)24-20-18-16-14-12-10-8-6-2/h29-31,34-35H,5-28H2,1-4H3/t29-,30-,31?/m1/s1
InChIKeyYETINBHDQDCUSD-KCUXUGRMSA-N
XLogP7.43
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.87
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate 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

ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
methyl 2-methoxyheptanoate
CID 87952097
2-amino-6-[bis[(2R)-2-hydroxydodecyl]amino]hexanoic acid
CID 154597375
3-[bis(2-hydroxydecyl)amino]propanoic acid
CID 164829125
ethyl 4-[bis(2-hydroxydecyl)amino]butanoate
CID 169005673
1-[4-hydroxybutyl(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171428816
tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium
CID 88928952
1-[2-hydroxydodecyl-(5-methoxy-4-methylhexyl)amino]dodecan-2-ol
CID 139352416
1-(dibutylamino)undecan-2-ol
CID 101275149
4-[bis(2-hydroxyhexadecyl)amino]butanoic acid
CID 176659150
1-[3-aminopropyl-[13-[3-aminopropyl(2-hydroxytetradecyl)amino]tridecyl]amino]tetradecan-2-ol
CID 59095622
1-[3-aminopropyl-[12-[3-aminopropyl(2-hydroxyhexadecyl)amino]dodecyl]amino]hexadecan-2-ol
CID 71359787

Frequently Asked Questions

What is the IUPAC name of methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate?
The IUPAC name of methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate (CID 118548562) is methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate.
What is the SMILES notation for methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate?
The canonical SMILES for methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate is CCCCCCCCCC[C@@H](O)CN(CCCCC(OC)C(=O)OC)C[C@H](O)CCCCCCCCCC.
What is the InChIKey of methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate?
The InChIKey is YETINBHDQDCUSD-KCUXUGRMSA-N. The full InChI is InChI=1S/C32H65NO5/c1-5-7-9-11-13-15-17-19-23-29(34)27-33(26-22-21-25-31(37-3)32(36)38-4)28-30(35)24-20-18-16-14-12-10-8-6-2/h29-31,34-35H,5-28H2,1-4H3/t29-,30-,31?/m1/s1.
What are the key properties of methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate?
methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate has a molecular weight of 543.87 g/mol, XLogP of 7.43, 29 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methoxyhexanoate is sourced from PubChem (CID 118548562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).