1-(3-ethoxyphenyl)-1-propylurea

C12H18N2O2 — CID 3032093

IUPAC1-(3-ethoxyphenyl)-1-propylurea
SMILESCCCN(C(N)=O)c1cccc(OCC)c1
InChIInChI=1S/C12H18N2O2/c1-3-8-14(12(13)15)10-6-5-7-11(9-10)16-4-2/h5-7,9H,3-4,8H2,1-2H3,(H2,13,15)
InChIKeyJUFDTNDTXJXIPG-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.38
Rot. Bonds5

About 1-(3-ethoxyphenyl)-1-propylurea

1-(3-ethoxyphenyl)-1-propylurea (PubChem CID 3032093) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-1-propylurea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-1-propylurea
PubChem CID3032093
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(3-ethoxyphenyl)-1-propylurea
SMILESCCCN(C(N)=O)c1cccc(OCC)c1
InChIInChI=1S/C12H18N2O2/c1-3-8-14(12(13)15)10-6-5-7-11(9-10)16-4-2/h5-7,9H,3-4,8H2,1-2H3,(H2,13,15)
InChIKeyJUFDTNDTXJXIPG-UHFFFAOYSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-1-ethylurea
CID 3032085
1-(2-hydroxyethyl)-1-(3-methoxyphenyl)urea
CID 91413546
3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline
CID 70603517
1-(3-methylphenyl)-1-pentylurea
CID 3032149
2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate
CID 3042507
2-(N-butyl-3-ethoxyanilino)ethyl phenyl carbonate
CID 54526782
2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
CID 71326234
N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide
CID 17320931
2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 30256331
ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid
CID 57057134
2-piperidin-1-ylethyl N-(3-pentoxyphenyl)-N-propylcarbamate;hydrochloride
CID 3042453
2-(3-ethoxyphenoxy)-N-methylacetohydrazide
CID 116820503

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-1-propylurea?
The IUPAC name of 1-(3-ethoxyphenyl)-1-propylurea (CID 3032093) is 1-(3-ethoxyphenyl)-1-propylurea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-1-propylurea?
The canonical SMILES for 1-(3-ethoxyphenyl)-1-propylurea is CCCN(C(N)=O)c1cccc(OCC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-1-propylurea?
The InChIKey is JUFDTNDTXJXIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-8-14(12(13)15)10-6-5-7-11(9-10)16-4-2/h5-7,9H,3-4,8H2,1-2H3,(H2,13,15).
What are the key properties of 1-(3-ethoxyphenyl)-1-propylurea?
1-(3-ethoxyphenyl)-1-propylurea has a molecular weight of 222.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-1-propylurea is sourced from PubChem (CID 3032093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).