1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C18H25N3O2 — CID 51469803

IUPAC1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C18H25N3O2/c22-16-8-4-12-21(16)13-5-11-19-18(23)20-17(15-9-10-15)14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H2,19,20,23)/t17-/m0/s1
InChIKeyRKODIBAIJRTROK-KRWDZBQOSA-N
MW315.42 g/mol
LogP2.45
Rot. Bonds7

About 1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 51469803) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID51469803
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C18H25N3O2/c22-16-8-4-12-21(16)13-5-11-19-18(23)20-17(15-9-10-15)14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H2,19,20,23)/t17-/m0/s1
InChIKeyRKODIBAIJRTROK-KRWDZBQOSA-N
XLogP2.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46451092
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide
CID 94796136
1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one
CID 4213266
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
1-[3-[[(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]amino]propyl]pyrrolidin-2-one
CID 97109948
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea
CID 95573065
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 94181052
3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide
CID 95663638
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 51469803) is 1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is O=C(NCCCN1CCCC1=O)N[C@@H](c1ccccc1)C1CC1.
What is the InChIKey of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is RKODIBAIJRTROK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-16-8-4-12-21(16)13-5-11-19-18(23)20-17(15-9-10-15)14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H2,19,20,23)/t17-/m0/s1.
What are the key properties of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 315.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 51469803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).