(6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide

C18H25N3O4 — CID 142437172

IUPAC(6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3OCCOC3CN3CC[C@@H]3C2)cc1
InChIInChI=1S/C18H25N3O4/c1-23-15-4-2-13(3-5-15)19-18(22)21-10-14-6-7-20(14)11-16-17(12-21)25-9-8-24-16/h2-5,14,16-17H,6-12H2,1H3,(H,19,22)/t14-,16?,17?/m1/s1
InChIKeyAKEVGZHIDPKLLC-ODIFPOPNSA-N
MW347.42 g/mol
LogP1.40
Rot. Bonds2

About (6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide

(6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide (PubChem CID 142437172) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide.

Molecular Properties

Compound Name(6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide
PubChem CID142437172
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3OCCOC3CN3CC[C@@H]3C2)cc1
InChIInChI=1S/C18H25N3O4/c1-23-15-4-2-13(3-5-15)19-18(22)21-10-14-6-7-20(14)11-16-17(12-21)25-9-8-24-16/h2-5,14,16-17H,6-12H2,1H3,(H,19,22)/t14-,16?,17?/m1/s1
InChIKeyAKEVGZHIDPKLLC-ODIFPOPNSA-N
XLogP1.40
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-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

4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
(3aS,9aS,9bS)-N-(4-methoxyphenyl)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide
CID 129353014
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165118
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 121155297
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
1-(1-acetylpiperidin-4-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42693365

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide?
The IUPAC name of (6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide (CID 142437172) is (6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide.
What is the SMILES notation for (6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide?
The canonical SMILES for (6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide is COc1ccc(NC(=O)N2CC3OCCOC3CN3CC[C@@H]3C2)cc1.
What is the InChIKey of (6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide?
The InChIKey is AKEVGZHIDPKLLC-ODIFPOPNSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-23-15-4-2-13(3-5-15)19-18(22)21-10-14-6-7-20(14)11-16-17(12-21)25-9-8-24-16/h2-5,14,16-17H,6-12H2,1H3,(H,19,22)/t14-,16?,17?/m1/s1.
What are the key properties of (6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide?
(6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide is sourced from PubChem (CID 142437172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).