1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea

C21H23N3O2 — CID 136521438

IUPAC1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea
SMILESO=C(Nc1cccc(C(=O)N2CC(Cc3ccccc3)C2)c1)NC1CC1
InChIInChI=1S/C21H23N3O2/c25-20(24-13-16(14-24)11-15-5-2-1-3-6-15)17-7-4-8-19(12-17)23-21(26)22-18-9-10-18/h1-8,12,16,18H,9-11,13-14H2,(H2,22,23,26)
InChIKeyUIJXWTOWEQPPFO-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.29
Rot. Bonds5

About 1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea

1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea (PubChem CID 136521438) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea
PubChem CID136521438
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea
SMILESO=C(Nc1cccc(C(=O)N2CC(Cc3ccccc3)C2)c1)NC1CC1
InChIInChI=1S/C21H23N3O2/c25-20(24-13-16(14-24)11-15-5-2-1-3-6-15)17-7-4-8-19(12-17)23-21(26)22-18-9-10-18/h1-8,12,16,18H,9-11,13-14H2,(H2,22,23,26)
InChIKeyUIJXWTOWEQPPFO-UHFFFAOYSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-3-cyclopropylurea;hydrochloride
CID 120657031
1-cyclopropyl-3-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]urea;hydrochloride
CID 119639329
1-[3-(cyclopropylcarbamoylamino)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259644
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
CID 55884104
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide
CID 154859331
1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea
CID 167893023
N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 110662564
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea?
The IUPAC name of 1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea (CID 136521438) is 1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea is O=C(Nc1cccc(C(=O)N2CC(Cc3ccccc3)C2)c1)NC1CC1.
What is the InChIKey of 1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea?
The InChIKey is UIJXWTOWEQPPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(24-13-16(14-24)11-15-5-2-1-3-6-15)17-7-4-8-19(12-17)23-21(26)22-18-9-10-18/h1-8,12,16,18H,9-11,13-14H2,(H2,22,23,26).
What are the key properties of 1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea?
1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea has a molecular weight of 349.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea is sourced from PubChem (CID 136521438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).