N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C20H29N5O3 — CID 130219425

IUPACN-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN[C@@H]1CC[C@]2(CC1c1ccccc1)CN(CC(=O)N(C)CC(N)=O)C(=O)N2
InChIInChI=1S/C20H29N5O3/c1-22-16-8-9-20(10-15(16)14-6-4-3-5-7-14)13-25(19(28)23-20)12-18(27)24(2)11-17(21)26/h3-7,15-16,22H,8-13H2,1-2H3,(H2,21,26)(H,23,28)/t15?,16-,20+/m1/s1
InChIKeyNLTUXOQFWHLLAX-ZHXBYJNYSA-N
MW387.48 g/mol
LogP0.25
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 130219425) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID130219425
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN[C@@H]1CC[C@]2(CC1c1ccccc1)CN(CC(=O)N(C)CC(N)=O)C(=O)N2
InChIInChI=1S/C20H29N5O3/c1-22-16-8-9-20(10-15(16)14-6-4-3-5-7-14)13-25(19(28)23-20)12-18(27)24(2)11-17(21)26/h3-7,15-16,22H,8-13H2,1-2H3,(H2,21,26)(H,23,28)/t15?,16-,20+/m1/s1
InChIKeyNLTUXOQFWHLLAX-ZHXBYJNYSA-N
XLogP0.25
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide
CID 137407639
N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide
CID 110476049
2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 24744224
1-(cyanomethyl)-1-methyl-3-(2-phenylcyclopropyl)urea
CID 3689046
N-(2-amino-2-oxoethyl)-2-(2,3-dihydro-1H-indol-3-yl)-N-methylacetamide
CID 80573654
N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 159505179
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 130200463
2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 110160674
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide;hydrochloride
CID 120760082
(3R,4S)-N-methyl-3-phenylpiperidin-4-amine
CID 91006555
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid
CID 130200978

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 130219425) is N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CN[C@@H]1CC[C@]2(CC1c1ccccc1)CN(CC(=O)N(C)CC(N)=O)C(=O)N2.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is NLTUXOQFWHLLAX-ZHXBYJNYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-22-16-8-9-20(10-15(16)14-6-4-3-5-7-14)13-25(19(28)23-20)12-18(27)24(2)11-17(21)26/h3-7,15-16,22H,8-13H2,1-2H3,(H2,21,26)(H,23,28)/t15?,16-,20+/m1/s1.
What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 387.48 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-methyl-2-[(5S,8R)-8-(methylamino)-2-oxo-7-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 130219425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).