1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea

C13H19N3O2 — CID 55100972

IUPAC1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCNC1CC1
InChIInChI=1S/C13H19N3O2/c1-18-12-5-3-2-4-11(12)16-13(17)15-9-8-14-10-6-7-10/h2-5,10,14H,6-9H2,1H3,(H2,15,16,17)
InChIKeyHHUCZDRCLFAFMJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.57
Rot. Bonds6

About 1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea

1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 55100972) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
PubChem CID55100972
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCNC1CC1
InChIInChI=1S/C13H19N3O2/c1-18-12-5-3-2-4-11(12)16-13(17)15-9-8-14-10-6-7-10/h2-5,10,14H,6-9H2,1H3,(H2,15,16,17)
InChIKeyHHUCZDRCLFAFMJ-UHFFFAOYSA-N
XLogP1.57
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea
CID 62663672
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea
CID 100747076
1-(2-azidoethyl)-3-(2-methoxyphenyl)urea
CID 61342696
1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51952440
4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063317
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-(3-cyanopropyl)-3-(2-methoxyphenyl)urea
CID 62666828
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea (CID 55100972) is 1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCCNC1CC1.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is HHUCZDRCLFAFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-5-3-2-4-11(12)16-13(17)15-9-8-14-10-6-7-10/h2-5,10,14H,6-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea?
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 249.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 55100972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).