N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C28H35N3O5 — CID 41087765

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1cc(CNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)ccc1OCc1ccccc1
InChIInChI=1S/C28H35N3O5/c1-19-13-27(2,3)18-28(14-19)25(33)31(26(34)30-28)16-24(32)29-15-21-10-11-22(23(12-21)35-4)36-17-20-8-6-5-7-9-20/h5-12,19H,13-18H2,1-4H3,(H,29,32)(H,30,34)/t19-,28-/m0/s1
InChIKeyKSFHFRKXZNSDDK-VKGTZQKMSA-N
MW493.60 g/mol
LogP4.03
Rot. Bonds8

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 41087765) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID41087765
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1cc(CNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)ccc1OCc1ccccc1
InChIInChI=1S/C28H35N3O5/c1-19-13-27(2,3)18-28(14-19)25(33)31(26(34)30-28)16-24(32)29-15-21-10-11-22(23(12-21)35-4)36-17-20-8-6-5-7-9-20/h5-12,19H,13-18H2,1-4H3,(H,29,32)(H,30,34)/t19-,28-/m0/s1
InChIKeyKSFHFRKXZNSDDK-VKGTZQKMSA-N
XLogP4.03
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 92786574
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55891870
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide
CID 27865933
N-[2-(2-methoxyphenyl)ethyl]-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 31114934
2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 31609262
N-(pyridin-4-ylmethyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40713787
N-(2-methoxy-5-methylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579596
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55747565
N-[(2-fluorophenyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24982653
N-(3-chloro-4-methoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7934827
N-(2,4-dimethoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579563
N-(2,4-dimethoxyphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579558

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 41087765) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is COc1cc(CNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is KSFHFRKXZNSDDK-VKGTZQKMSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-19-13-27(2,3)18-28(14-19)25(33)31(26(34)30-28)16-24(32)29-15-21-10-11-22(23(12-21)35-4)36-17-20-8-6-5-7-9-20/h5-12,19H,13-18H2,1-4H3,(H,29,32)(H,30,34)/t19-,28-/m0/s1.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 493.60 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 41087765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).