1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea

C19H24N2O3 — CID 111111224

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
SMILESO=C(NCCOCC1CC1)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O3/c22-18(17-8-7-15-3-1-2-4-16(15)11-17)12-21-19(23)20-9-10-24-13-14-5-6-14/h1-4,7-8,11,14,18,22H,5-6,9-10,12-13H2,(H2,20,21,23)
InChIKeyDWYGFHRMDTYWEW-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.60
Rot. Bonds8

About 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea

1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea (PubChem CID 111111224) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
PubChem CID111111224
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
SMILESO=C(NCCOCC1CC1)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O3/c22-18(17-8-7-15-3-1-2-4-16(15)11-17)12-21-19(23)20-9-10-24-13-14-5-6-14/h1-4,7-8,11,14,18,22H,5-6,9-10,12-13H2,(H2,20,21,23)
InChIKeyDWYGFHRMDTYWEW-UHFFFAOYSA-N
XLogP2.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea (CID 111111224) is 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea is O=C(NCCOCC1CC1)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The InChIKey is DWYGFHRMDTYWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18(17-8-7-15-3-1-2-4-16(15)11-17)12-21-19(23)20-9-10-24-13-14-5-6-14/h1-4,7-8,11,14,18,22H,5-6,9-10,12-13H2,(H2,20,21,23).
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea has a molecular weight of 328.41 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea is sourced from PubChem (CID 111111224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).