1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea

C19H17N3O3 — CID 122156598

IUPAC1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
SMILESN#Cc1cccc(C2(NC(=O)Nc3cccc4c3OCCO4)CC2)c1
InChIInChI=1S/C19H17N3O3/c20-12-13-3-1-4-14(11-13)19(7-8-19)22-18(23)21-15-5-2-6-16-17(15)25-10-9-24-16/h1-6,11H,7-10H2,(H2,21,22,23)
InChIKeyUGGSTUKDUQGXAH-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.14
Rot. Bonds3

About 1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea

1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea (PubChem CID 122156598) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea.

Molecular Properties

Compound Name1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
PubChem CID122156598
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
SMILESN#Cc1cccc(C2(NC(=O)Nc3cccc4c3OCCO4)CC2)c1
InChIInChI=1S/C19H17N3O3/c20-12-13-3-1-4-14(11-13)19(7-8-19)22-18(23)21-15-5-2-6-16-17(15)25-10-9-24-16/h1-6,11H,7-10H2,(H2,21,22,23)
InChIKeyUGGSTUKDUQGXAH-UHFFFAOYSA-N
XLogP3.14
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
CID 154880376
(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
CID 125144380
(E)-N-[1-(3-cyanophenyl)cyclopropyl]-4-(dimethylamino)but-2-enamide
CID 146097715
3-[[4-(3-cyanophenyl)oxan-4-yl]carbamoyl]benzoic acid
CID 154788901
4-[[1-(3-cyanophenyl)cyclopropyl]carbamoylamino]-5-phenylpentanoic acid
CID 122027628
N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide
CID 122153638
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543221
1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-[4-(3-cyanophenyl)oxan-4-yl]urea
CID 154801290
N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119298931
cis-(1R,3S)-3-(2,3-dihydro-1,4-benzodioxin-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066114
4-cyano-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylbenzenesulfonamide
CID 167937246
N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
CID 15033690

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea?
The IUPAC name of 1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea (CID 122156598) is 1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea.
What is the SMILES notation for 1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea?
The canonical SMILES for 1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea is N#Cc1cccc(C2(NC(=O)Nc3cccc4c3OCCO4)CC2)c1.
What is the InChIKey of 1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea?
The InChIKey is UGGSTUKDUQGXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c20-12-13-3-1-4-14(11-13)19(7-8-19)22-18(23)21-15-5-2-6-16-17(15)25-10-9-24-16/h1-6,11H,7-10H2,(H2,21,22,23).
What are the key properties of 1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea?
1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea has a molecular weight of 335.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea is sourced from PubChem (CID 122156598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).