1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea

C13H19N3O2 — CID 114108461

IUPAC1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea
SMILESCC1CC(NC(=O)Nc2cccc(N)c2)CCO1
InChIInChI=1S/C13H19N3O2/c1-9-7-12(5-6-18-9)16-13(17)15-11-4-2-3-10(14)8-11/h2-4,8-9,12H,5-7,14H2,1H3,(H2,15,16,17)
InChIKeyANSGVRAQQQGJSA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.96
Rot. Bonds2

About 1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea

1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea (PubChem CID 114108461) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea
PubChem CID114108461
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea
SMILESCC1CC(NC(=O)Nc2cccc(N)c2)CCO1
InChIInChI=1S/C13H19N3O2/c1-9-7-12(5-6-18-9)16-13(17)15-11-4-2-3-10(14)8-11/h2-4,8-9,12H,5-7,14H2,1H3,(H2,15,16,17)
InChIKeyANSGVRAQQQGJSA-UHFFFAOYSA-N
XLogP1.96
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.96
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-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 97332499
N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
CID 97254109
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
CID 61222902
3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107036
2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107021
1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 62367144
2-anilino-N-(2-methyloxan-4-yl)acetamide
CID 114107774
1-(3-aminophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 102566887
cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320365
3-[2-[(2-methyloxan-4-yl)amino]-2-oxoethyl]benzoic acid
CID 120550350
1-[3-(aminomethyl)phenyl]-3-(3,4-dimethylcyclohexyl)urea
CID 64743523

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea?
The IUPAC name of 1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea (CID 114108461) is 1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea?
The canonical SMILES for 1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea is CC1CC(NC(=O)Nc2cccc(N)c2)CCO1.
What is the InChIKey of 1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea?
The InChIKey is ANSGVRAQQQGJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-12(5-6-18-9)16-13(17)15-11-4-2-3-10(14)8-11/h2-4,8-9,12H,5-7,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea?
1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea has a molecular weight of 249.31 g/mol, XLogP of 1.96, 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-(2-methyloxan-4-yl)urea is sourced from PubChem (CID 114108461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).