(6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide

C20H27N3O4 — CID 75529196

IUPAC(6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide
SMILESCOc1ccc2c(c1)CN(C(=O)NC1CCCCC1)CC[C@H]1COC(=O)N21
InChIInChI=1S/C20H27N3O4/c1-26-17-7-8-18-14(11-17)12-22(10-9-16-13-27-20(25)23(16)18)19(24)21-15-5-3-2-4-6-15/h7-8,11,15-16H,2-6,9-10,12-13H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyGDBAIIJWXGQXIM-INIZCTEOSA-N
MW373.45 g/mol
LogP3.27
Rot. Bonds2

About (6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide

(6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide (PubChem CID 75529196) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide
PubChem CID75529196
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide
SMILESCOc1ccc2c(c1)CN(C(=O)NC1CCCCC1)CC[C@H]1COC(=O)N21
InChIInChI=1S/C20H27N3O4/c1-26-17-7-8-18-14(11-17)12-22(10-9-16-13-27-20(25)23(16)18)19(24)21-15-5-3-2-4-6-15/h7-8,11,15-16H,2-6,9-10,12-13H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyGDBAIIJWXGQXIM-INIZCTEOSA-N
XLogP3.27
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide with MolForge

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Related Compounds

9-(cyclopropanecarbonyl)-13-methoxy-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 163042303
(6S)-13-methoxy-9-(3-methylbutanoyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 75529206
3-[(6S)-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carbonyl]benzonitrile
CID 75529204
13-methoxy-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 162792721
(6S)-9-(cyclopropylmethyl)-13-methoxy-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 75529192
(6S)-9-(benzenesulfonyl)-13-methoxy-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 75529200
13-methoxy-9-[(3-methoxyphenyl)methyl]-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 162793117
13-methoxy-9-[(2-methoxyphenyl)methyl]-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 163049253
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 162792685
(6S)-13-methoxy-9-[[4-(trifluoromethyl)phenyl]methyl]-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 75529218
(6S)-14-fluoro-9-[2-(4-methoxyphenyl)acetyl]-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 100650640

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
The IUPAC name of (6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide (CID 75529196) is (6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide.
What is the SMILES notation for (6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
The canonical SMILES for (6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide is COc1ccc2c(c1)CN(C(=O)NC1CCCCC1)CC[C@H]1COC(=O)N21.
What is the InChIKey of (6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
The InChIKey is GDBAIIJWXGQXIM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-26-17-7-8-18-14(11-17)12-22(10-9-16-13-27-20(25)23(16)18)19(24)21-15-5-3-2-4-6-15/h7-8,11,15-16H,2-6,9-10,12-13H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
(6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclohexyl-13-methoxy-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide is sourced from PubChem (CID 75529196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).