3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea

C14H17N3O2 — CID 43526496

IUPAC3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)Nc2cccc(N)c2)o1
InChIInChI=1S/C14H17N3O2/c1-10-6-7-13(19-10)9-17(2)14(18)16-12-5-3-4-11(15)8-12/h3-8H,9,15H2,1-2H3,(H,16,18)
InChIKeyHASOEHXWJUTNFT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.83
Rot. Bonds3

About 3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea

3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 43526496) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID43526496
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)Nc2cccc(N)c2)o1
InChIInChI=1S/C14H17N3O2/c1-10-6-7-13(19-10)9-17(2)14(18)16-12-5-3-4-11(15)8-12/h3-8H,9,15H2,1-2H3,(H,16,18)
InChIKeyHASOEHXWJUTNFT-UHFFFAOYSA-N
XLogP2.83
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]benzoic acid
CID 61198276
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 63701302
3-(3-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61093633
1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192722
3-(3-aminophenyl)-1-methyl-1-(2-methylsulfonylethyl)urea
CID 79863865
3-N-[(5-methylfuran-2-yl)methyl]benzene-1,3-diamine
CID 62525026
methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 87010073
3-(3-aminophenyl)-1-[(5-bromothiophen-3-yl)methyl]-1-methylurea
CID 54986825
1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea
CID 43457897
1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 43458533
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526090

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea (CID 43526496) is 3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea is Cc1ccc(CN(C)C(=O)Nc2cccc(N)c2)o1.
What is the InChIKey of 3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is HASOEHXWJUTNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-6-7-13(19-10)9-17(2)14(18)16-12-5-3-4-11(15)8-12/h3-8H,9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 259.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 43526496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).