N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide

C20H27N3O4 — CID 95197913

IUPACN-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide
SMILESCCOc1ccc(NC(=O)CC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1
InChIInChI=1S/C20H27N3O4/c1-3-27-16-7-5-15(6-8-16)21-17(24)13-18(25)23-12-10-20(14-23)9-4-11-22(2)19(20)26/h5-8H,3-4,9-14H2,1-2H3,(H,21,24)/t20-/m0/s1
InChIKeyYVCDOFAAUKHVBF-FQEVSTJZSA-N
MW373.45 g/mol
LogP1.88
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide

N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide (PubChem CID 95197913) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide
PubChem CID95197913
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide
SMILESCCOc1ccc(NC(=O)CC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1
InChIInChI=1S/C20H27N3O4/c1-3-27-16-7-5-15(6-8-16)21-17(24)13-18(25)23-12-10-20(14-23)9-4-11-22(2)19(20)26/h5-8H,3-4,9-14H2,1-2H3,(H,21,24)/t20-/m0/s1
InChIKeyYVCDOFAAUKHVBF-FQEVSTJZSA-N
XLogP1.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942054
(5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97455348
N-[4-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]phenyl]ethanesulfonamide
CID 97124077
N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950910
(5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95215237
2-[2-(3,4-difluorophenyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205435
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
(5R)-2-[2-[(5R,7R)-3-hydroxy-1-adamantyl]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 99953870
(3R)-N-(4-ethoxyphenyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104043
4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97139079
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610
(5S)-7-methyl-2-[2-[3-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97113122

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide (CID 95197913) is N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide is CCOc1ccc(NC(=O)CC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide?
The InChIKey is YVCDOFAAUKHVBF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-3-27-16-7-5-15(6-8-16)21-17(24)13-18(25)23-12-10-20(14-23)9-4-11-22(2)19(20)26/h5-8H,3-4,9-14H2,1-2H3,(H,21,24)/t20-/m0/s1.
What are the key properties of N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide?
N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide has a molecular weight of 373.45 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide is sourced from PubChem (CID 95197913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).