1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea

C14H22N2O2 — CID 47218923

IUPAC1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-4-9-15-14(17)16-10-12-5-7-13(8-6-12)18-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyGXWNNKPLHYBMJT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.68
Rot. Bonds6

About 1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea

1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea (PubChem CID 47218923) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
PubChem CID47218923
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-4-9-15-14(17)16-10-12-5-7-13(8-6-12)18-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyGXWNNKPLHYBMJT-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47024767
1-(3-hydroxy-4-methylpentyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 111504474
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
1-[(4-butan-2-ylphenyl)methyl]-3-propylurea
CID 110774875
2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54815317
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 33158981
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
N-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]acetamide
CID 43770338
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea?
The IUPAC name of 1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea (CID 47218923) is 1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea?
The canonical SMILES for 1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea is CCCNC(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea?
The InChIKey is GXWNNKPLHYBMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-15-14(17)16-10-12-5-7-13(8-6-12)18-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea?
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea has a molecular weight of 250.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea is sourced from PubChem (CID 47218923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).