(4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide

C15H21N3O3 — CID 97089035

IUPAC(4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide
SMILESC[C@H](OCCCNC(=O)[C@H]1CNC(=O)N1)c1ccccc1
InChIInChI=1S/C15H21N3O3/c1-11(12-6-3-2-4-7-12)21-9-5-8-16-14(19)13-10-17-15(20)18-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,19)(H2,17,18,20)/t11-,13+/m0/s1
InChIKeyUQQHDJMRHMIYTO-WCQYABFASA-N
MW291.35 g/mol
LogP0.95
Rot. Bonds7

About (4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide

(4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide (PubChem CID 97089035) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide
PubChem CID97089035
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide
SMILESC[C@H](OCCCNC(=O)[C@H]1CNC(=O)N1)c1ccccc1
InChIInChI=1S/C15H21N3O3/c1-11(12-6-3-2-4-7-12)21-9-5-8-16-14(19)13-10-17-15(20)18-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,19)(H2,17,18,20)/t11-,13+/m0/s1
InChIKeyUQQHDJMRHMIYTO-WCQYABFASA-N
XLogP0.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2-oxo-N-(3-propan-2-yloxypropyl)imidazolidine-4-carboxamide
CID 97085402
(4S)-N-[(2R)-2-methoxy-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide
CID 97062692
N-[3-(1-phenylethoxy)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119273555
N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119273576
3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830
4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 24658372
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111402961
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide
CID 110907153
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 134048726
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
CID 119907220

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide (CID 97089035) is (4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide is C[C@H](OCCCNC(=O)[C@H]1CNC(=O)N1)c1ccccc1.
What is the InChIKey of (4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide?
The InChIKey is UQQHDJMRHMIYTO-WCQYABFASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(12-6-3-2-4-7-12)21-9-5-8-16-14(19)13-10-17-15(20)18-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,19)(H2,17,18,20)/t11-,13+/m0/s1.
What are the key properties of (4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide?
(4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide is sourced from PubChem (CID 97089035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).