3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide

C17H21N3O2 — CID 164626725

IUPAC3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide
SMILESO=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21N3O2/c21-16-10-19(11-20(16)14-6-7-14)17(22)18-9-13-8-15(13)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,18,22)/t13-,15-/m1/s1
InChIKeyIKCFUQNGVAGZEO-UKRRQHHQSA-N
MW299.37 g/mol
LogP1.76
Rot. Bonds4

About 3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide

3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide (PubChem CID 164626725) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide
PubChem CID164626725
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide
SMILESO=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21N3O2/c21-16-10-19(11-20(16)14-6-7-14)17(22)18-9-13-8-15(13)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,18,22)/t13-,15-/m1/s1
InChIKeyIKCFUQNGVAGZEO-UKRRQHHQSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide
CID 138011509
1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081607
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea
CID 97081608
(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
CID 97028910
1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea
CID 155436496
1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016810
(3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide
CID 146095411
4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide?
The IUPAC name of 3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide (CID 164626725) is 3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide.
What is the SMILES notation for 3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide?
The canonical SMILES for 3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide is O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CC(=O)N(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide?
The InChIKey is IKCFUQNGVAGZEO-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16-10-19(11-20(16)14-6-7-14)17(22)18-9-13-8-15(13)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,18,22)/t13-,15-/m1/s1.
What are the key properties of 3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide?
3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide is sourced from PubChem (CID 164626725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).