N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C20H31N3O2 — CID 56892746

IUPACN-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccccc1CCCNC(=O)C1CC2(CCNCC2)CN1C
InChIInChI=1S/C20H31N3O2/c1-23-15-20(9-12-21-13-10-20)14-17(23)19(24)22-11-5-7-16-6-3-4-8-18(16)25-2/h3-4,6,8,17,21H,5,7,9-15H2,1-2H3,(H,22,24)
InChIKeyRHJJVUGRLZNRRF-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.82
Rot. Bonds6

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

N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56892746) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56892746
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccccc1CCCNC(=O)C1CC2(CCNCC2)CN1C
InChIInChI=1S/C20H31N3O2/c1-23-15-20(9-12-21-13-10-20)14-17(23)19(24)22-11-5-7-16-6-3-4-8-18(16)25-2/h3-4,6,8,17,21H,5,7,9-15H2,1-2H3,(H,22,24)
InChIKeyRHJJVUGRLZNRRF-UHFFFAOYSA-N
XLogP1.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-methoxyphenyl)propyl]-2-methyl-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)-2-methyl-N-(2-naphthalen-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95863233
N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154894652
(3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95715961
(3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95862437
N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902263
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 103808122
N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177811
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95888750
(4aR,8aR)-N-[3-(2-methoxyphenyl)propyl]-1,7-dimethyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxamide
CID 146043623
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882354

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56892746) is N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is COc1ccccc1CCCNC(=O)C1CC2(CCNCC2)CN1C.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is RHJJVUGRLZNRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-23-15-20(9-12-21-13-10-20)14-17(23)19(24)22-11-5-7-16-6-3-4-8-18(16)25-2/h3-4,6,8,17,21H,5,7,9-15H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56892746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).