(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one

C21H29N3O2 — CID 154572793

IUPAC(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one
SMILESCOc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)NC(N)N(C)C2=O)cc1
InChIInChI=1S/C21H29N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15,19,23H,7-12,22H2,1-2H3/t13?,14?,15?,19?,20?,21-/m1/s1
InChIKeyOJQBWWNWDSIHJC-BTGOGJKBSA-N
MW355.48 g/mol
LogP2.41
Rot. Bonds3

About (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one

(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one (PubChem CID 154572793) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one
PubChem CID154572793
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one
SMILESCOc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)NC(N)N(C)C2=O)cc1
InChIInChI=1S/C21H29N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15,19,23H,7-12,22H2,1-2H3/t13?,14?,15?,19?,20?,21-/m1/s1
InChIKeyOJQBWWNWDSIHJC-BTGOGJKBSA-N
XLogP2.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 162563707
CID 162563707
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
CID 14047057
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
6-(4-methoxyphenyl)-1-methylpiperazin-2-one
CID 83707128
(1R,5S)-1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719822
4-(4-methoxyphenyl)-1,3-dimethylimidazolidin-2-one
CID 116982870
(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 98079985
N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46560966
5-ethyl-2-(4-methoxyphenyl)-3,5-dimethylimidazolidin-4-one
CID 83261732
3-(1-adamantylsulfanyl)-3-(4-methoxyphenyl)oxetane
CID 138972847
(3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine
CID 170701447

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one?
The IUPAC name of (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one (CID 154572793) is (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one.
What is the SMILES notation for (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one?
The canonical SMILES for (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one is COc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)NC(N)N(C)C2=O)cc1.
What is the InChIKey of (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one?
The InChIKey is OJQBWWNWDSIHJC-BTGOGJKBSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15,19,23H,7-12,22H2,1-2H3/t13?,14?,15?,19?,20?,21-/m1/s1.
What are the key properties of (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one?
(5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one has a molecular weight of 355.48 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazolidin-4-one is sourced from PubChem (CID 154572793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).