(5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C19H27N3O2 — CID 97491231

IUPAC(5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1cccc(CN2CC[C@]3(CC(C(=O)NCC(C)C)=NO3)C2)c1
InChIInChI=1S/C19H27N3O2/c1-14(2)11-20-18(23)17-10-19(24-21-17)7-8-22(13-19)12-16-6-4-5-15(3)9-16/h4-6,9,14H,7-8,10-13H2,1-3H3,(H,20,23)/t19-/m0/s1
InChIKeyHWTJQWIUSLLGMN-IBGZPJMESA-N
MW329.44 g/mol
LogP2.49
Rot. Bonds5

About (5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491231) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491231
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1cccc(CN2CC[C@]3(CC(C(=O)NCC(C)C)=NO3)C2)c1
InChIInChI=1S/C19H27N3O2/c1-14(2)11-20-18(23)17-10-19(24-21-17)7-8-22(13-19)12-16-6-4-5-15(3)9-16/h4-6,9,14H,7-8,10-13H2,1-3H3,(H,20,23)/t19-/m0/s1
InChIKeyHWTJQWIUSLLGMN-IBGZPJMESA-N
XLogP2.49
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 118740736
(5R)-7-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491230
7-[(3,5-dimethylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131640537
(5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491469
7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131651861
(5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2S)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491475
(5R)-7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491554
7-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134072440
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079624
7-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131644328
(5R)-N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491587
N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131655320

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491231) is (5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1cccc(CN2CC[C@]3(CC(C(=O)NCC(C)C)=NO3)C2)c1.
What is the InChIKey of (5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is HWTJQWIUSLLGMN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)11-20-18(23)17-10-19(24-21-17)7-8-22(13-19)12-16-6-4-5-15(3)9-16/h4-6,9,14H,7-8,10-13H2,1-3H3,(H,20,23)/t19-/m0/s1.
What are the key properties of (5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).