(7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C20H31N3O3 — CID 124805485

About (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

(7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 124805485) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

• Compound Name: (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
• PubChem CID: 124805485
• Molecular Formula: C20H31N3O3
• Molecular Weight: 361.49 g/mol
• Exact Mass: 361.24
• IUPAC Name: (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
• SMILES: CNC(=O)[C@@H]1COC2(CN(C(=O)CC3=CCCCC3)C2)CN1CC1CC1
• InChI: InChI=1S/C20H31N3O3/c1-21-19(25)17-11-26-20(12-22(17)10-16-7-8-16)13-23(14-20)18(24)9-15-5-3-2-4-6-15/h5,16-17H,2-4,6-14H2,1H3,(H,21,25)/t17-/m0/s1
• InChIKey: ZZOGHXFNIONTEP-KRWDZBQOSA-N
• XLogP: 1.31
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.49
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The IUPAC name of (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 124805485) is (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

What is the SMILES notation for (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The canonical SMILES for (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)[C@@H]1COC2(CN(C(=O)CC3=CCCCC3)C2)CN1CC1CC1.

What is the InChIKey of (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The InChIKey is ZZOGHXFNIONTEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-21-19(25)17-11-26-20(12-22(17)10-16-7-8-16)13-23(14-20)18(24)9-15-5-3-2-4-6-15/h5,16-17H,2-4,6-14H2,1H3,(H,21,25)/t17-/m0/s1.

What are the key properties of (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

(7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 124805485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).