(3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C21H33N3O2 — CID 95715961

IUPAC(3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCOc1ccccc1CCCNC(=O)[C@@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C21H33N3O2/c1-2-14-26-19-8-4-3-6-17(19)7-5-11-23-20(25)18-15-21(16-24-18)9-12-22-13-10-21/h3-4,6,8,18,22,24H,2,5,7,9-16H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyOLAVUSCADFQEOH-SFHVURJKSA-N
MW359.51 g/mol
LogP2.26
Rot. Bonds8

About (3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95715961) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95715961
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCOc1ccccc1CCCNC(=O)[C@@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C21H33N3O2/c1-2-14-26-19-8-4-3-6-17(19)7-5-11-23-20(25)18-15-21(16-24-18)9-12-22-13-10-21/h3-4,6,8,18,22,24H,2,5,7,9-16H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyOLAVUSCADFQEOH-SFHVURJKSA-N
XLogP2.26
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56892746
4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide
CID 72840141
1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[3-(2-propoxyphenyl)propyl]urea;hydrochloride
CID 154913447
(3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95720834
(3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95708043
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56911145
3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100532843
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56910669
(6R)-N-propyl-5-azaspiro[2.4]heptane-6-carboxamide
CID 129450977
4-tert-butyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 99994651
(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95725925
(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95720438

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95715961) is (3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCOc1ccccc1CCCNC(=O)[C@@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is OLAVUSCADFQEOH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-2-14-26-19-8-4-3-6-17(19)7-5-11-23-20(25)18-15-21(16-24-18)9-12-22-13-10-21/h3-4,6,8,18,22,24H,2,5,7,9-16H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of (3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95715961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).