N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide

C24H29N3O3 — CID 175645180

IUPACN-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC3(CCN(CCc4ccccc4)C3=O)C2)cc1
InChIInChI=1S/C24H29N3O3/c1-30-21-9-7-20(8-10-21)25-22(28)17-26-15-12-24(18-26)13-16-27(23(24)29)14-11-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3,(H,25,28)
InChIKeyBLTIBWIWIWXUKY-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.80
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide

N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide (PubChem CID 175645180) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
PubChem CID175645180
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC3(CCN(CCc4ccccc4)C3=O)C2)cc1
InChIInChI=1S/C24H29N3O3/c1-30-21-9-7-20(8-10-21)25-22(28)17-26-15-12-24(18-26)13-16-27(23(24)29)14-11-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3,(H,25,28)
InChIKeyBLTIBWIWIWXUKY-UHFFFAOYSA-N
XLogP2.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 175645484
2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423901
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513
2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 91909934
N-[(2-methoxyphenyl)methyl]-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)acetamide
CID 176503248
2-(2-methoxyethyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502457
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642991
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2598211
2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 91909937
N-[(2R)-1-methoxypropan-2-yl]-2-[7-oxo-8-(2-phenylethyl)-3,8-diazaspiro[5.6]dodec-10-en-3-yl]acetamide
CID 124941899

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide (CID 175645180) is N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide is COc1ccc(NC(=O)CN2CCC3(CCN(CCc4ccccc4)C3=O)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide?
The InChIKey is BLTIBWIWIWXUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-30-21-9-7-20(8-10-21)25-22(28)17-26-15-12-24(18-26)13-16-27(23(24)29)14-11-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3,(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide?
N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide is sourced from PubChem (CID 175645180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).