(1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide

C20H25N3O3 — CID 98138035

IUPAC(1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC1(C)NC(=O)N(Cc2ccc(NC(=O)C3[C@H]4CCCC[C@H]34)cc2)C1=O
InChIInChI=1S/C20H25N3O3/c1-20(2)18(25)23(19(26)22-20)11-12-7-9-13(10-8-12)21-17(24)16-14-5-3-4-6-15(14)16/h7-10,14-16H,3-6,11H2,1-2H3,(H,21,24)(H,22,26)/t14-,15-/m0/s1
InChIKeyPGDYTSOAAFZDLC-GJZGRUSLSA-N
MW355.44 g/mol
LogP2.89
Rot. Bonds4

About (1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide

(1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 98138035) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID98138035
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC1(C)NC(=O)N(Cc2ccc(NC(=O)C3[C@H]4CCCC[C@H]34)cc2)C1=O
InChIInChI=1S/C20H25N3O3/c1-20(2)18(25)23(19(26)22-20)11-12-7-9-13(10-8-12)21-17(24)16-14-5-3-4-6-15(14)16/h7-10,14-16H,3-6,11H2,1-2H3,(H,21,24)(H,22,26)/t14-,15-/m0/s1
InChIKeyPGDYTSOAAFZDLC-GJZGRUSLSA-N
XLogP2.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51591237
N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 46969235
(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 6968106
3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5200341
2-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile
CID 169339198
N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600560
N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide
CID 46969735
N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7995035
[2-(4-chloroanilino)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8656733
N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106912187
N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 24683139
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide
CID 46955875

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 98138035) is (1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide is CC1(C)NC(=O)N(Cc2ccc(NC(=O)C3[C@H]4CCCC[C@H]34)cc2)C1=O.
What is the InChIKey of (1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is PGDYTSOAAFZDLC-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(2)18(25)23(19(26)22-20)11-12-7-9-13(10-8-12)21-17(24)16-14-5-3-4-6-15(14)16/h7-10,14-16H,3-6,11H2,1-2H3,(H,21,24)(H,22,26)/t14-,15-/m0/s1.
What are the key properties of (1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide?
(1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 98138035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).