1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea

C16H17N3O2 — CID 62367144

IUPAC1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
SMILESNc1cccc(NC(=O)NC2CCOc3ccccc32)c1
InChIInChI=1S/C16H17N3O2/c17-11-4-3-5-12(10-11)18-16(20)19-14-8-9-21-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9,17H2,(H2,18,19,20)
InChIKeyARLZCGKQQBMNOM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.91
Rot. Bonds2

About 1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea

1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea (PubChem CID 62367144) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
PubChem CID62367144
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
SMILESNc1cccc(NC(=O)NC2CCOc3ccccc32)c1
InChIInChI=1S/C16H17N3O2/c17-11-4-3-5-12(10-11)18-16(20)19-14-8-9-21-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9,17H2,(H2,18,19,20)
InChIKeyARLZCGKQQBMNOM-UHFFFAOYSA-N
XLogP2.91
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
CID 110866586
methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate
CID 94152568
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
CID 51082005
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 17397287
1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]urea
CID 55695771
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 94177707
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea?
The IUPAC name of 1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea (CID 62367144) is 1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea?
The canonical SMILES for 1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea is Nc1cccc(NC(=O)NC2CCOc3ccccc32)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea?
The InChIKey is ARLZCGKQQBMNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-11-4-3-5-12(10-11)18-16(20)19-14-8-9-21-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9,17H2,(H2,18,19,20).
What are the key properties of 1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea?
1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea has a molecular weight of 283.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea is sourced from PubChem (CID 62367144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).