N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide

C24H29N3O3 — CID 92550677

IUPACN-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
SMILESCOc1cccc(CN2C[C@@H](c3ccc(NC(C)=O)cc3)[C@@]3(CCCC(=O)N3)C2)c1
InChIInChI=1S/C24H29N3O3/c1-17(28)25-20-10-8-19(9-11-20)22-15-27(14-18-5-3-6-21(13-18)30-2)16-24(22)12-4-7-23(29)26-24/h3,5-6,8-11,13,22H,4,7,12,14-16H2,1-2H3,(H,25,28)(H,26,29)/t22-,24+/m0/s1
InChIKeyCQHRIBRSEPAKAZ-LADGPHEKSA-N
MW407.51 g/mol
LogP3.29
Rot. Bonds5

About N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide

N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide (PubChem CID 92550677) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
PubChem CID92550677
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
SMILESCOc1cccc(CN2C[C@@H](c3ccc(NC(C)=O)cc3)[C@@]3(CCCC(=O)N3)C2)c1
InChIInChI=1S/C24H29N3O3/c1-17(28)25-20-10-8-19(9-11-20)22-15-27(14-18-5-3-6-21(13-18)30-2)16-24(22)12-4-7-23(29)26-24/h3,5-6,8-11,13,22H,4,7,12,14-16H2,1-2H3,(H,25,28)(H,26,29)/t22-,24+/m0/s1
InChIKeyCQHRIBRSEPAKAZ-LADGPHEKSA-N
XLogP3.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
CID 92550680
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide
CID 110152508
N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide
CID 110129742
(4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 92611453
(4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one
CID 92574940
2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 155987052
(4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 92583127
N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide
CID 56716664
(4R,5S)-4-pyridin-3-yl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one
CID 92570751
1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110550
N-[4-(dimethylamino)phenyl]-2-[(4R,5S)-4-(2-fluorophenyl)-7-oxo-2,6-diazaspiro[4.6]undecan-2-yl]acetamide
CID 92607132
(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 110131026

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide (CID 92550677) is N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide is COc1cccc(CN2C[C@@H](c3ccc(NC(C)=O)cc3)[C@@]3(CCCC(=O)N3)C2)c1.
What is the InChIKey of N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
The InChIKey is CQHRIBRSEPAKAZ-LADGPHEKSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(28)25-20-10-8-19(9-11-20)22-15-27(14-18-5-3-6-21(13-18)30-2)16-24(22)12-4-7-23(29)26-24/h3,5-6,8-11,13,22H,4,7,12,14-16H2,1-2H3,(H,25,28)(H,26,29)/t22-,24+/m0/s1.
What are the key properties of N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide is sourced from PubChem (CID 92550677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).