2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide

C23H33N3O4 — CID 84562373

IUPAC2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(CCC(=O)N1CCC2(CC1)OCCO2)C1CC1
InChIInChI=1S/C23H33N3O4/c1-17-4-3-5-18(2)22(17)24-20(27)16-26(19-6-7-19)11-8-21(28)25-12-9-23(10-13-25)29-14-15-30-23/h3-5,19H,6-16H2,1-2H3,(H,24,27)
InChIKeyYVQTWNCDDDUSON-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.46
Rot. Bonds7

About 2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide

2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 84562373) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID84562373
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(CCC(=O)N1CCC2(CC1)OCCO2)C1CC1
InChIInChI=1S/C23H33N3O4/c1-17-4-3-5-18(2)22(17)24-20(27)16-26(19-6-7-19)11-8-21(28)25-12-9-23(10-13-25)29-14-15-30-23/h3-5,19H,6-16H2,1-2H3,(H,24,27)
InChIKeyYVQTWNCDDDUSON-UHFFFAOYSA-N
XLogP2.46
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 84562381
2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 84561922
2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 84562402
1-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 84566512
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 84565827
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 84567313
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(4-hydroxyphenyl)propanamide
CID 84566689
3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]propanoic acid
CID 84565869
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
CID 84567301
N-(2,6-dimethylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113168682
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 109138754
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 84565854

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide (CID 84562373) is 2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(CCC(=O)N1CCC2(CC1)OCCO2)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is YVQTWNCDDDUSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-17-4-3-5-18(2)22(17)24-20(27)16-26(19-6-7-19)11-8-21(28)25-12-9-23(10-13-25)29-14-15-30-23/h3-5,19H,6-16H2,1-2H3,(H,24,27).
What are the key properties of 2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 415.53 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 84562373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).