1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea

C14H22N2O3 — CID 47221937

IUPAC1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
SMILESCOCCCNC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C14H22N2O3/c1-11(2)19-13-8-5-4-7-12(13)16-14(17)15-9-6-10-18-3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyCRWNXJQDEWVTQK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.63
Rot. Bonds7

About 1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea

1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 47221937) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
PubChem CID47221937
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
SMILESCOCCCNC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C14H22N2O3/c1-11(2)19-13-8-5-4-7-12(13)16-14(17)15-9-6-10-18-3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyCRWNXJQDEWVTQK-UHFFFAOYSA-N
XLogP2.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.63
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

4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
1-(2-propan-2-yloxyphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974497
N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54835570
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 112973546
1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109045189
2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
CID 63747383
2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
CID 81083212
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea (CID 47221937) is 1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea is COCCCNC(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is CRWNXJQDEWVTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(2)19-13-8-5-4-7-12(13)16-14(17)15-9-6-10-18-3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea?
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 266.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 47221937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).