N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C18H26N2O4 — CID 51085636

IUPACN-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H26N2O4/c1-3-10-22-16-13-14(2)4-5-15(16)19-17(21)20-8-6-18(7-9-20)23-11-12-24-18/h4-5,13H,3,6-12H2,1-2H3,(H,19,21)
InChIKeyVSUQWRGZUBIUEX-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.15
Rot. Bonds4

About N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 51085636) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID51085636
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H26N2O4/c1-3-10-22-16-13-14(2)4-5-15(16)19-17(21)20-8-6-18(7-9-20)23-11-12-24-18/h4-5,13H,3,6-12H2,1-2H3,(H,19,21)
InChIKeyVSUQWRGZUBIUEX-UHFFFAOYSA-N
XLogP3.15
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
(3S,4S)-1-[(4-methyl-2-propoxyphenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122076847
1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone
CID 60935911
2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide
CID 81173247
N-(2-ethoxy-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 47262001
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
N-[2-(2,4,5-trimethylphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112974447
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
3-methyl-1-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077719
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 134060037
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 51085636) is N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CCCOc1cc(C)ccc1NC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is VSUQWRGZUBIUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-10-22-16-13-14(2)4-5-15(16)19-17(21)20-8-6-18(7-9-20)23-11-12-24-18/h4-5,13H,3,6-12H2,1-2H3,(H,19,21).
What are the key properties of N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 51085636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).