N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide

C21H30N2O2 — CID 97483991

IUPACN-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1COCCC12CCN(CCc1ccccc1)CC2)C1CC1
InChIInChI=1S/C21H30N2O2/c24-20(18-6-7-18)22-19-16-25-15-11-21(19)9-13-23(14-10-21)12-8-17-4-2-1-3-5-17/h1-5,18-19H,6-16H2,(H,22,24)/t19-/m0/s1
InChIKeyBVYHOSMEFVNXMW-IBGZPJMESA-N
MW342.48 g/mol
LogP2.63
Rot. Bonds5

About N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide

N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide (PubChem CID 97483991) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
PubChem CID97483991
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1COCCC12CCN(CCc1ccccc1)CC2)C1CC1
InChIInChI=1S/C21H30N2O2/c24-20(18-6-7-18)22-19-16-25-15-11-21(19)9-13-23(14-10-21)12-8-17-4-2-1-3-5-17/h1-5,18-19H,6-16H2,(H,22,24)/t19-/m0/s1
InChIKeyBVYHOSMEFVNXMW-IBGZPJMESA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide (CID 97483991) is N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide is O=C(N[C@H]1COCCC12CCN(CCc1ccccc1)CC2)C1CC1.
What is the InChIKey of N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
The InChIKey is BVYHOSMEFVNXMW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(18-6-7-18)22-19-16-25-15-11-21(19)9-13-23(14-10-21)12-8-17-4-2-1-3-5-17/h1-5,18-19H,6-16H2,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide?
N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide has a molecular weight of 342.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 97483991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).