N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide

C20H30N2O3 — CID 84600450

IUPACN-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
SMILESCc1cccc(C(C)CNC(=O)N2CCOCC3(CCOCC3)C2)c1
InChIInChI=1S/C20H30N2O3/c1-16-4-3-5-18(12-16)17(2)13-21-19(23)22-8-11-25-15-20(14-22)6-9-24-10-7-20/h3-5,12,17H,6-11,13-15H2,1-2H3,(H,21,23)
InChIKeySLZFKUZRBJHBKB-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.94
Rot. Bonds3

About N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide

N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide (PubChem CID 84600450) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
PubChem CID84600450
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
SMILESCc1cccc(C(C)CNC(=O)N2CCOCC3(CCOCC3)C2)c1
InChIInChI=1S/C20H30N2O3/c1-16-4-3-5-18(12-16)17(2)13-21-19(23)22-8-11-25-15-20(14-22)6-9-24-10-7-20/h3-5,12,17H,6-11,13-15H2,1-2H3,(H,21,23)
InChIKeySLZFKUZRBJHBKB-UHFFFAOYSA-N
XLogP2.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US10300051, Example 49
CID 118302908
N-(2-phenylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 84600364
(5aR,9aS)-N-benzyl-4-methyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine-8-carboxamide
CID 97511311
(5aR,9aS)-N-benzyl-4-ethyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine-8-carboxamide
CID 97511322
(5aR,9aS)-N-benzyl-4-(2-methoxyethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine-8-carboxamide
CID 97511368
N-2-methoxyethyl-(R)-3-(p-fluorophenyl)-1-azepanecarboxamide
CID 99873301
1-allyl-3-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)urea
CID 45561194
3-[(4-Methyloxan-4-YL)methyl]-1-(2-phenylethyl)urea
CID 71686920
3-Methyl-3-[(oxan-4-YL)methyl]-1-(2-phenylethyl)urea
CID 91914989
4-(methoxymethyl)-N-phenethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91922025
1-(4-Morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 56813457
N-[2-(3,4-difluorophenyl)propyl]-5-methyl-1,4-oxazepane-4-carboxamide
CID 84595701

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The IUPAC name of N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide (CID 84600450) is N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide is Cc1cccc(C(C)CNC(=O)N2CCOCC3(CCOCC3)C2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The InChIKey is SLZFKUZRBJHBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16-4-3-5-18(12-16)17(2)13-21-19(23)22-8-11-25-15-20(14-22)6-9-24-10-7-20/h3-5,12,17H,6-11,13-15H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)propyl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide is sourced from PubChem (CID 84600450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).