(10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide

C18H21ClN2O2 — CID 93065047

IUPAC(10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
SMILESCC[C@H]1Cn2c(C(=O)NC3CCCC3)cc3c(Cl)ccc(c32)O1
InChIInChI=1S/C18H21ClN2O2/c1-2-12-10-21-15(18(22)20-11-5-3-4-6-11)9-13-14(19)7-8-16(23-12)17(13)21/h7-9,11-12H,2-6,10H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyOMOMKRJXYRIMBJ-LBPRGKRZSA-N
MW332.83 g/mol
LogP4.14
Rot. Bonds3

About (10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide

(10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide (PubChem CID 93065047) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is (10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide.

Molecular Properties

Compound Name(10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
PubChem CID93065047
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name(10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
SMILESCC[C@H]1Cn2c(C(=O)NC3CCCC3)cc3c(Cl)ccc(c32)O1
InChIInChI=1S/C18H21ClN2O2/c1-2-12-10-21-15(18(22)20-11-5-3-4-6-11)9-13-14(19)7-8-16(23-12)17(13)21/h7-9,11-12H,2-6,10H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyOMOMKRJXYRIMBJ-LBPRGKRZSA-N
XLogP4.14
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
The IUPAC name of (10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide (CID 93065047) is (10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide.
What is the SMILES notation for (10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
The canonical SMILES for (10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide is CC[C@H]1Cn2c(C(=O)NC3CCCC3)cc3c(Cl)ccc(c32)O1.
What is the InChIKey of (10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
The InChIKey is OMOMKRJXYRIMBJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-2-12-10-21-15(18(22)20-11-5-3-4-6-11)9-13-14(19)7-8-16(23-12)17(13)21/h7-9,11-12H,2-6,10H2,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
(10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-5-chloro-N-cyclopentyl-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide is sourced from PubChem (CID 93065047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).