N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide

C30H41N3O3 — CID 72618166

IUPACN-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide
SMILESCCOc1ccc(CN2CCC3(CCN(CCC(NC(=O)C(C)C)c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C30H41N3O3/c1-4-36-26-12-10-24(11-13-26)22-33-21-17-30(29(33)35)15-19-32(20-16-30)18-14-27(31-28(34)23(2)3)25-8-6-5-7-9-25/h5-13,23,27H,4,14-22H2,1-3H3,(H,31,34)
InChIKeyGFDGJBKQWBTZNA-UHFFFAOYSA-N
MW491.68 g/mol
LogP4.80
Rot. Bonds10

About N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide

N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide (PubChem CID 72618166) has the molecular formula C30H41N3O3 and a molecular weight of 491.68 g/mol. Its IUPAC name is N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide
PubChem CID72618166
Molecular FormulaC30H41N3O3
Molecular Weight491.68 g/mol
Exact Mass491.31
IUPAC NameN-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide
SMILESCCOc1ccc(CN2CCC3(CCN(CCC(NC(=O)C(C)C)c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C30H41N3O3/c1-4-36-26-12-10-24(11-13-26)22-33-21-17-30(29(33)35)15-19-32(20-16-30)18-14-27(31-28(34)23(2)3)25-8-6-5-7-9-25/h5-13,23,27H,4,14-22H2,1-3H3,(H,31,34)
InChIKeyGFDGJBKQWBTZNA-UHFFFAOYSA-N
XLogP4.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.68
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide
CID 72618129
2-methyl-N-[(1S)-3-[1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide
CID 59998852
N-[(1S)-1-(3-chlorophenyl)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propyl]-2-methylpropanamide
CID 59999042
N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide
CID 59998866
2-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
CID 59998982
1-(2-chlorophenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea
CID 59998688
ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate
CID 59998838
methyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate
CID 59999024
N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride
CID 69373335
1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea
CID 142988121
N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 11467678
2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
CID 59998884

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide?
The IUPAC name of N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide (CID 72618166) is N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide is CCOc1ccc(CN2CCC3(CCN(CCC(NC(=O)C(C)C)c4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide?
The InChIKey is GFDGJBKQWBTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O3/c1-4-36-26-12-10-24(11-13-26)22-33-21-17-30(29(33)35)15-19-32(20-16-30)18-14-27(31-28(34)23(2)3)25-8-6-5-7-9-25/h5-13,23,27H,4,14-22H2,1-3H3,(H,31,34).
What are the key properties of N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide?
N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide has a molecular weight of 491.68 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide is sourced from PubChem (CID 72618166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).