N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide

C22H33N3O2 — CID 91838129

IUPACN-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCN1CCC2(CCC(=O)N(C)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-3-18-6-4-5-7-19(18)23-20(26)9-14-25-16-12-22(13-17-25)10-8-21(27)24(2)15-11-22/h4-7H,3,8-17H2,1-2H3,(H,23,26)
InChIKeySAQYFQNMAHGOCM-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.30
Rot. Bonds5

About N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide

N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide (PubChem CID 91838129) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide
PubChem CID91838129
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCN1CCC2(CCC(=O)N(C)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-3-18-6-4-5-7-19(18)23-20(26)9-14-25-16-12-22(13-17-25)10-8-21(27)24(2)15-11-22/h4-7H,3,8-17H2,1-2H3,(H,23,26)
InChIKeySAQYFQNMAHGOCM-UHFFFAOYSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide (CID 91838129) is N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide is CCc1ccccc1NC(=O)CCN1CCC2(CCC(=O)N(C)CC2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide?
The InChIKey is SAQYFQNMAHGOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-18-6-4-5-7-19(18)23-20(26)9-14-25-16-12-22(13-17-25)10-8-21(27)24(2)15-11-22/h4-7H,3,8-17H2,1-2H3,(H,23,26).
What are the key properties of N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide?
N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide has a molecular weight of 371.53 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide is sourced from PubChem (CID 91838129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).