1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea

C21H26N2O3 — CID 71462943

IUPAC1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESCCCCOc1cc(NC(=O)NC2CCc3ccccc32)ccc1OC
InChIInChI=1S/C21H26N2O3/c1-3-4-13-26-20-14-16(10-12-19(20)25-2)22-21(24)23-18-11-9-15-7-5-6-8-17(15)18/h5-8,10,12,14,18H,3-4,9,11,13H2,1-2H3,(H2,22,23,24)
InChIKeyQYAHXNNZUOPOET-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.68
Rot. Bonds7

About 1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea

1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 71462943) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
PubChem CID71462943
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESCCCCOc1cc(NC(=O)NC2CCc3ccccc32)ccc1OC
InChIInChI=1S/C21H26N2O3/c1-3-4-13-26-20-14-16(10-12-19(20)25-2)22-21(24)23-18-11-9-15-7-5-6-8-17(15)18/h5-8,10,12,14,18H,3-4,9,11,13H2,1-2H3,(H2,22,23,24)
InChIKeyQYAHXNNZUOPOET-UHFFFAOYSA-N
XLogP4.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 5221280
3-(2-butoxyphenyl)-N-(2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-5-carboxamide
CID 71822324
1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea
CID 4508008
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121
1-(3,4-dimethoxyphenyl)-3-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)urea
CID 86914167
4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide
CID 86957152
1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110399695
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide
CID 167789116
4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4879241
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426668

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea (CID 71462943) is 1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea is CCCCOc1cc(NC(=O)NC2CCc3ccccc32)ccc1OC.
What is the InChIKey of 1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is QYAHXNNZUOPOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-4-13-26-20-14-16(10-12-19(20)25-2)22-21(24)23-18-11-9-15-7-5-6-8-17(15)18/h5-8,10,12,14,18H,3-4,9,11,13H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea?
1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 354.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 71462943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).