N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H31N3O3 — CID 75446726

IUPACN-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCC1COC2(CCC(C)CC2)O1
InChIInChI=1S/C19H31N3O3/c1-13-7-9-19(10-8-13)24-12-16(25-19)11-20-18(23)6-5-17-14(2)21-22(4)15(17)3/h13,16H,5-12H2,1-4H3,(H,20,23)
InChIKeyKKJNNZGDORBNFZ-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.41
Rot. Bonds5

About N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 75446726) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID75446726
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCC1COC2(CCC(C)CC2)O1
InChIInChI=1S/C19H31N3O3/c1-13-7-9-19(10-8-13)24-12-16(25-19)11-20-18(23)6-5-17-14(2)21-22(4)15(17)3/h13,16H,5-12H2,1-4H3,(H,20,23)
InChIKeyKKJNNZGDORBNFZ-UHFFFAOYSA-N
XLogP2.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide
CID 97338354
N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 75446903
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532725
2-butoxy-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide
CID 97338626
3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 75446722
3-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methylcarbamoylamino]propanoic acid
CID 122009247
1-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544534
N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119620409
1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea
CID 97337864
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
1-(2,2-difluoroethyl)-3-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]urea
CID 97338163
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 75446726) is N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCC1COC2(CCC(C)CC2)O1.
What is the InChIKey of N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is KKJNNZGDORBNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13-7-9-19(10-8-13)24-12-16(25-19)11-20-18(23)6-5-17-14(2)21-22(4)15(17)3/h13,16H,5-12H2,1-4H3,(H,20,23).
What are the key properties of N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 349.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 75446726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).