(2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C22H32N2O3 — CID 97383921

IUPAC(2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(CN2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)cc1
InChIInChI=1S/C22H32N2O3/c1-16-14-24(15-18-5-7-19(26-2)8-6-18)12-11-22(16)10-9-20(27-22)21(25)23-13-17-3-4-17/h5-8,16-17,20H,3-4,9-15H2,1-2H3,(H,23,25)/t16-,20+,22+/m0/s1
InChIKeyWFRHPFQKUDQXDC-SAWYMBPVSA-N
MW372.51 g/mol
LogP2.98
Rot. Bonds6

About (2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

(2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 97383921) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID97383921
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(CN2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)cc1
InChIInChI=1S/C22H32N2O3/c1-16-14-24(15-18-5-7-19(26-2)8-6-18)12-11-22(16)10-9-20(27-22)21(25)23-13-17-3-4-17/h5-8,16-17,20H,3-4,9-15H2,1-2H3,(H,23,25)/t16-,20+,22+/m0/s1
InChIKeyWFRHPFQKUDQXDC-SAWYMBPVSA-N
XLogP2.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide with MolForge

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide
CID 154779710
N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076793
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide
CID 154738097
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119865560
2-[(1S,3aR,7aR)-5-[(4-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 97476467
2-[(1R,3aS,7aS)-5-[(4-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 133141686
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450
N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850234
(2R)-N-(cyclopropylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383812
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 97383921) is (2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is COc1ccc(CN2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)cc1.
What is the InChIKey of (2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is WFRHPFQKUDQXDC-SAWYMBPVSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-16-14-24(15-18-5-7-19(26-2)8-6-18)12-11-22(16)10-9-20(27-22)21(25)23-13-17-3-4-17/h5-8,16-17,20H,3-4,9-15H2,1-2H3,(H,23,25)/t16-,20+,22+/m0/s1.
What are the key properties of (2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
(2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97383921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).