10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one

C21H29N3O4 — CID 155900743

IUPAC10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1CC2(CC1=O)CN(C(C)=O)CCN(C(=O)Cc1ccc(OC)cc1)C2
InChIInChI=1S/C21H29N3O4/c1-4-22-13-21(12-20(22)27)14-23(16(2)25)9-10-24(15-21)19(26)11-17-5-7-18(28-3)8-6-17/h5-8H,4,9-15H2,1-3H3
InChIKeyWJGJASNAHYOPPX-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.17
Rot. Bonds4

About 10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one

10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one (PubChem CID 155900743) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one
PubChem CID155900743
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1CC2(CC1=O)CN(C(C)=O)CCN(C(=O)Cc1ccc(OC)cc1)C2
InChIInChI=1S/C21H29N3O4/c1-4-22-13-21(12-20(22)27)14-23(16(2)25)9-10-24(15-21)19(26)11-17-5-7-18(28-3)8-6-17/h5-8H,4,9-15H2,1-3H3
InChIKeyWJGJASNAHYOPPX-UHFFFAOYSA-N
XLogP1.17
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 134070062
2-ethyl-10-(4-methoxybenzoyl)-7-methylsulfonyl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 134076922
(5S)-2-ethyl-10-(4-methoxybenzoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97439069
1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 84579645
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
(5S)-10-acetyl-7-(4-chlorobenzoyl)-2-ethyl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97439032
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
10-acetyl-2-ethyl-7-(1H-pyrrole-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131696238
1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one
CID 110867147
10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131660635
(5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360190

Frequently Asked Questions

What is the IUPAC name of 10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one?
The IUPAC name of 10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one (CID 155900743) is 10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one?
The canonical SMILES for 10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one is CCN1CC2(CC1=O)CN(C(C)=O)CCN(C(=O)Cc1ccc(OC)cc1)C2.
What is the InChIKey of 10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one?
The InChIKey is WJGJASNAHYOPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-4-22-13-21(12-20(22)27)14-23(16(2)25)9-10-24(15-21)19(26)11-17-5-7-18(28-3)8-6-17/h5-8H,4,9-15H2,1-3H3.
What are the key properties of 10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one?
10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one has a molecular weight of 387.48 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 155900743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).