1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea

C16H29N3O2 — CID 25281458

IUPAC1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
SMILESCCCCNC(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-2-3-10-17-16(21)18-13-11-15(20)19(12-13)14-8-6-4-5-7-9-14/h13-14H,2-12H2,1H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyOHESAONAJQOYKU-CYBMUJFWSA-N
MW295.43 g/mol
LogP2.41
Rot. Bonds5

About 1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea

1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea (PubChem CID 25281458) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
PubChem CID25281458
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
SMILESCCCCNC(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-2-3-10-17-16(21)18-13-11-15(20)19(12-13)14-8-6-4-5-7-9-14/h13-14H,2-12H2,1H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyOHESAONAJQOYKU-CYBMUJFWSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.41
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

1-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 71914618
1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 97080337
ethyl 3-[(1-cycloheptyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoate
CID 45246068
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
1-butyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876777
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea
CID 56794755
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 26410011
1-butyl-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969554
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-piperidin-1-ylacetamide
CID 45251324
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 25446356

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea (CID 25281458) is 1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea is CCCCNC(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea?
The InChIKey is OHESAONAJQOYKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-3-10-17-16(21)18-13-11-15(20)19(12-13)14-8-6-4-5-7-9-14/h13-14H,2-12H2,1H3,(H2,17,18,21)/t13-/m1/s1.
What are the key properties of 1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea?
1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea has a molecular weight of 295.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 25281458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).