1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea

C16H23N3O3 — CID 7513345

IUPAC1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCCOCCCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H23N3O3/c1-2-22-10-6-9-17-16(21)18-13-11-15(20)19(12-13)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyDKWTVLVPDYVBNC-CYBMUJFWSA-N
MW305.38 g/mol
LogP1.52
Rot. Bonds7

About 1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea

1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 7513345) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID7513345
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCCOCCCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H23N3O3/c1-2-22-10-6-9-17-16(21)18-13-11-15(20)19(12-13)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyDKWTVLVPDYVBNC-CYBMUJFWSA-N
XLogP1.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969243
1-[2-(diethylamino)ethyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513356
1-(2-ethoxyethyl)-2-methyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913115
1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 7513558
1-[3-(azepan-1-yl)propyl]-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513564
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea
CID 7544981
1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea
CID 7513555
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(3-ethoxypropyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913746
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-propan-2-yloxypropyl)urea
CID 7547949
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 43969973
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913660

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea (CID 7513345) is 1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea is CCOCCCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is DKWTVLVPDYVBNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-22-10-6-9-17-16(21)18-13-11-15(20)19(12-13)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H2,17,18,21)/t13-/m1/s1.
What are the key properties of 1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 305.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 7513345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).