(11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

About (11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92721417) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is (11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound Name	(11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID	92721417
Molecular Formula	C23H33N3O4
Molecular Weight	415.53 g/mol
Exact Mass	415.25
IUPAC Name	(11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILES	CCOCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1
InChI	InChI=1S/C23H33N3O4/c1-3-29-13-8-12-26-21(27)19-15-20-18(11-14-30-20)25(19)16-23(26,2)22(28)24-17-9-6-4-5-7-10-17/h11,14-15,17H,3-10,12-13,16H2,1-2H3,(H,24,28)/t23-/m0/s1
InChIKey	IXOSERXVMZQPHN-QHCPKHFHSA-N
XLogP	3.71
TPSA	76.71 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of (11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92721417) is (11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

What is the SMILES notation for (11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for (11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CCOCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1.

What is the InChIKey of (11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is IXOSERXVMZQPHN-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-3-29-13-8-12-26-21(27)19-15-20-18(11-14-30-20)25(19)16-23(26,2)22(28)24-17-9-6-4-5-7-10-17/h11,14-15,17H,3-10,12-13,16H2,1-2H3,(H,24,28)/t23-/m0/s1.

What are the key properties of (11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

(11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92721417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).