(7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide

C23H30N2O4 — CID 126761168

IUPAC(7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide
SMILESCCC[C@]12c3c4ccc(C(N)=O)c3O[C@H]1C(=O)CC[C@@]2(O)[C@H](N(C)CC1CC1)C4
InChIInChI=1S/C23H30N2O4/c1-3-9-22-18-14-6-7-15(21(24)27)19(18)29-20(22)16(26)8-10-23(22,28)17(11-14)25(2)12-13-4-5-13/h6-7,13,17,20,28H,3-5,8-12H2,1-2H3,(H2,24,27)/t17-,20+,22+,23-/m1/s1
InChIKeyPLXZIGRSEKUPQM-XEDHWARRSA-N
MW398.50 g/mol
LogP1.94
Rot. Bonds6

About (7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide

(7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide (PubChem CID 126761168) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is (7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide.

Molecular Properties

Compound Name(7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide
PubChem CID126761168
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name(7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide
SMILESCCC[C@]12c3c4ccc(C(N)=O)c3O[C@H]1C(=O)CC[C@@]2(O)[C@H](N(C)CC1CC1)C4
InChIInChI=1S/C23H30N2O4/c1-3-9-22-18-14-6-7-15(21(24)27)19(18)29-20(22)16(26)8-10-23(22,28)17(11-14)25(2)12-13-4-5-13/h6-7,13,17,20,28H,3-5,8-12H2,1-2H3,(H2,24,27)/t17-,20+,22+,23-/m1/s1
InChIKeyPLXZIGRSEKUPQM-XEDHWARRSA-N
XLogP1.94
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide?
The IUPAC name of (7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide (CID 126761168) is (7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide.
What is the SMILES notation for (7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide?
The canonical SMILES for (7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide is CCC[C@]12c3c4ccc(C(N)=O)c3O[C@H]1C(=O)CC[C@@]2(O)[C@H](N(C)CC1CC1)C4.
What is the InChIKey of (7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide?
The InChIKey is PLXZIGRSEKUPQM-XEDHWARRSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-3-9-22-18-14-6-7-15(21(24)27)19(18)29-20(22)16(26)8-10-23(22,28)17(11-14)25(2)12-13-4-5-13/h6-7,13,17,20,28H,3-5,8-12H2,1-2H3,(H2,24,27)/t17-,20+,22+,23-/m1/s1.
What are the key properties of (7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide?
(7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S,12R,13S)-7-[cyclopropylmethyl(methyl)amino]-8-hydroxy-11-oxo-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2-carboxamide is sourced from PubChem (CID 126761168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).