1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea

C21H22N2O3 — CID 3721169

IUPAC1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea
SMILESCOc1cccc(CCNC(=O)Nc2ccc3ccccc3c2)c1OC
InChIInChI=1S/C21H22N2O3/c1-25-19-9-5-8-16(20(19)26-2)12-13-22-21(24)23-18-11-10-15-6-3-4-7-17(15)14-18/h3-11,14H,12-13H2,1-2H3,(H2,22,23,24)
InChIKeyLUMHXWTZGNPZDU-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.22
Rot. Bonds6

About 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea

1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea (PubChem CID 3721169) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea
PubChem CID3721169
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea
SMILESCOc1cccc(CCNC(=O)Nc2ccc3ccccc3c2)c1OC
InChIInChI=1S/C21H22N2O3/c1-25-19-9-5-8-16(20(19)26-2)12-13-22-21(24)23-18-11-10-15-6-3-4-7-17(15)14-18/h3-11,14H,12-13H2,1-2H3,(H2,22,23,24)
InChIKeyLUMHXWTZGNPZDU-UHFFFAOYSA-N
XLogP4.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17087569
1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3518744
1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 49110917
1-[2-(2-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 49110521
1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea
CID 3672215
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
N-[2-(2-methoxyphenyl)ethyl]naphthalen-2-amine
CID 106261920
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
1-(3,5-dimethoxyphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3502987

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea (CID 3721169) is 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea is COc1cccc(CCNC(=O)Nc2ccc3ccccc3c2)c1OC.
What is the InChIKey of 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea?
The InChIKey is LUMHXWTZGNPZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-19-9-5-8-16(20(19)26-2)12-13-22-21(24)23-18-11-10-15-6-3-4-7-17(15)14-18/h3-11,14H,12-13H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea?
1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea has a molecular weight of 350.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 3721169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).