(3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C22H35N3O2 — CID 95708043

IUPAC(3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)CCOc1cccc(CCNC(=O)[C@@H]2CC3(CCNCC3)CN2)c1
InChIInChI=1S/C22H35N3O2/c1-17(2)7-13-27-19-5-3-4-18(14-19)6-10-24-21(26)20-15-22(16-25-20)8-11-23-12-9-22/h3-5,14,17,20,23,25H,6-13,15-16H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyWLVZOPAEECJZDT-FQEVSTJZSA-N
MW373.54 g/mol
LogP2.50
Rot. Bonds8

About (3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95708043) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is (3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95708043
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name(3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)CCOc1cccc(CCNC(=O)[C@@H]2CC3(CCNCC3)CN2)c1
InChIInChI=1S/C22H35N3O2/c1-17(2)7-13-27-19-5-3-4-18(14-19)6-10-24-21(26)20-15-22(16-25-20)8-11-23-12-9-22/h3-5,14,17,20,23,25H,6-13,15-16H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyWLVZOPAEECJZDT-FQEVSTJZSA-N
XLogP2.50
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-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

(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95725925
N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902404
(3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95715961
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56910669
ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307264
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95724857
(2R)-3-[3-(3-methylbutoxy)phenyl]-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 176775203
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742
(2S,4S)-2-methyl-N-[2-[3-(3-phenylpropoxy)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120631933
(3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95873096
2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78879212

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95708043) is (3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CC(C)CCOc1cccc(CCNC(=O)[C@@H]2CC3(CCNCC3)CN2)c1.
What is the InChIKey of (3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is WLVZOPAEECJZDT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-17(2)7-13-27-19-5-3-4-18(14-19)6-10-24-21(26)20-15-22(16-25-20)8-11-23-12-9-22/h3-5,14,17,20,23,25H,6-13,15-16H2,1-2H3,(H,24,26)/t20-/m0/s1.
What are the key properties of (3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95708043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).