1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea

C21H26N2O — CID 166381125

IUPAC1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
SMILESCCc1ccccc1CNC(=O)NCC1CCc2ccccc2C1
InChIInChI=1S/C21H26N2O/c1-2-17-7-3-6-10-20(17)15-23-21(24)22-14-16-11-12-18-8-4-5-9-19(18)13-16/h3-10,16H,2,11-15H2,1H3,(H2,22,23,24)
InChIKeyJFYBNNYXFCKOJD-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.85
Rot. Bonds5

About 1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea

1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea (PubChem CID 166381125) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
PubChem CID166381125
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
SMILESCCc1ccccc1CNC(=O)NCC1CCc2ccccc2C1
InChIInChI=1S/C21H26N2O/c1-2-17-7-3-6-10-20(17)15-23-21(24)22-14-16-11-12-18-8-4-5-9-19(18)13-16/h3-10,16H,2,11-15H2,1H3,(H2,22,23,24)
InChIKeyJFYBNNYXFCKOJD-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea
CID 166381064
1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
CID 167836999
2-[[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)acetyl]amino]methyl]benzoic acid
CID 166251959
2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
CID 64693284
1,2,3,4-tetrahydronaphthalen-2-ylmethylhydrazine
CID 107126485
ethane;1-[(2-ethylphenyl)methyl]-3-methylurea
CID 142017164
1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
CID 108902673
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide
CID 118574714
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
1-(2-ethyl-2-hydroxybutyl)-3-[(2-ethylphenyl)methyl]urea
CID 111455827

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea (CID 166381125) is 1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea is CCc1ccccc1CNC(=O)NCC1CCc2ccccc2C1.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
The InChIKey is JFYBNNYXFCKOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-17-7-3-6-10-20(17)15-23-21(24)22-14-16-11-12-18-8-4-5-9-19(18)13-16/h3-10,16H,2,11-15H2,1H3,(H2,22,23,24).
What are the key properties of 1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea has a molecular weight of 322.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea is sourced from PubChem (CID 166381125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).