(1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

C15H25NO7 — CID 11901024

IUPAC(1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
SMILESCC1(C)O[C@@H]2[C@@H](O1)[C@H](C(=O)NCCCO)O[C@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H25NO7/c1-14(2)20-8-9(21-14)11-13(23-15(3,4)22-11)19-10(8)12(18)16-6-5-7-17/h8-11,13,17H,5-7H2,1-4H3,(H,16,18)/t8-,9-,10-,11-,13+/m1/s1
InChIKeyCDBBCNYRIPMPAE-CJJWORHMSA-N
MW331.37 g/mol
LogP-0.12
Rot. Bonds4

About (1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

(1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide (PubChem CID 11901024) has the molecular formula C15H25NO7 and a molecular weight of 331.37 g/mol. Its IUPAC name is (1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.

Molecular Properties

Compound Name(1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
PubChem CID11901024
Molecular FormulaC15H25NO7
Molecular Weight331.37 g/mol
Exact Mass331.16
IUPAC Name(1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
SMILESCC1(C)O[C@@H]2[C@@H](O1)[C@H](C(=O)NCCCO)O[C@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H25NO7/c1-14(2)20-8-9(21-14)11-13(23-15(3,4)22-11)19-10(8)12(18)16-6-5-7-17/h8-11,13,17H,5-7H2,1-4H3,(H,16,18)/t8-,9-,10-,11-,13+/m1/s1
InChIKeyCDBBCNYRIPMPAE-CJJWORHMSA-N
XLogP-0.12
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide 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

N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 3123174
3-[[(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]propanoic acid
CID 2129839
3-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl)amino]propanoic acid
CID 3148339
3-[[(1R,2R,6S,8R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]propanoate
CID 11906179
2-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl)amino]acetic acid
CID 3146275
(1S,2R,6S,8S,9R)-N-(2-amino-2-oxoethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124776090
2-[[2-[[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]acetyl]amino]acetic acid
CID 51420869
(1S,2R,6S,8S,9R)-N-benzyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124766563
(2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylic acid
CID 51062769
(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-N-[3-(4-methylanilino)-3-oxopropyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 25287817
(1S,2R,6R,8S,9R)-N-(furan-2-ylmethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 46262244
(1R,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
CID 11885604

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The IUPAC name of (1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide (CID 11901024) is (1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
What is the SMILES notation for (1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The canonical SMILES for (1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide is CC1(C)O[C@@H]2[C@@H](O1)[C@H](C(=O)NCCCO)O[C@H]1OC(C)(C)O[C@@H]12.
What is the InChIKey of (1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The InChIKey is CDBBCNYRIPMPAE-CJJWORHMSA-N. The full InChI is InChI=1S/C15H25NO7/c1-14(2)20-8-9(21-14)11-13(23-15(3,4)22-11)19-10(8)12(18)16-6-5-7-17/h8-11,13,17H,5-7H2,1-4H3,(H,16,18)/t8-,9-,10-,11-,13+/m1/s1.
What are the key properties of (1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
(1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide has a molecular weight of 331.37 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,8R,9R)-N-(3-hydroxypropyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide is sourced from PubChem (CID 11901024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).