1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea

C21H26N2O — CID 166381064

IUPAC1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea
SMILESCCc1ccccc1CNC(=O)NCCC1Cc2ccccc2C1
InChIInChI=1S/C21H26N2O/c1-2-17-7-3-6-10-20(17)15-23-21(24)22-12-11-16-13-18-8-4-5-9-19(18)14-16/h3-10,16H,2,11-15H2,1H3,(H2,22,23,24)
InChIKeyNOTMMBZHUGFKMF-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.85
Rot. Bonds6

About 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea

1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea (PubChem CID 166381064) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea
PubChem CID166381064
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea
SMILESCCc1ccccc1CNC(=O)NCCC1Cc2ccccc2C1
InChIInChI=1S/C21H26N2O/c1-2-17-7-3-6-10-20(17)15-23-21(24)22-12-11-16-13-18-8-4-5-9-19(18)14-16/h3-10,16H,2,11-15H2,1H3,(H2,22,23,24)
InChIKeyNOTMMBZHUGFKMF-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
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-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]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-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
CID 166381125
1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 97351085
1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 97351087
2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
CID 64693284
ethane;1-[(2-ethylphenyl)methyl]-3-methylurea
CID 142017164
1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506740
1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
CID 167836999
1-(2-ethyl-2-hydroxybutyl)-3-[(2-ethylphenyl)methyl]urea
CID 111455827
1-butyl-3-[(2-hydroxyphenyl)methyl]urea
CID 115598931
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129485088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea (CID 166381064) is 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea is CCc1ccccc1CNC(=O)NCCC1Cc2ccccc2C1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea?
The InChIKey is NOTMMBZHUGFKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-17-7-3-6-10-20(17)15-23-21(24)22-12-11-16-13-18-8-4-5-9-19(18)14-16/h3-10,16H,2,11-15H2,1H3,(H2,22,23,24).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea?
1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea has a molecular weight of 322.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea is sourced from PubChem (CID 166381064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).