1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea

C14H22N2O — CID 94828358

IUPAC1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)N[C@H](C)c1ccc(CC)cc1
InChIInChI=1S/C14H22N2O/c1-4-10-15-14(17)16-11(3)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H2,15,16,17)/t11-/m1/s1
InChIKeyDVMBSMAHOXXDNG-LLVKDONJSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds5

About 1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea

1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea (PubChem CID 94828358) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
PubChem CID94828358
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)N[C@H](C)c1ccc(CC)cc1
InChIInChI=1S/C14H22N2O/c1-4-10-15-14(17)16-11(3)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H2,15,16,17)/t11-/m1/s1
InChIKeyDVMBSMAHOXXDNG-LLVKDONJSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea
CID 95568330
4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide
CID 94158544
1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea
CID 19675086
1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-propylurea
CID 94211375
1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea
CID 127510643
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878
1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108901615
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
1-[1-(4-ethylphenyl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56822950
3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide
CID 55924438
1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea
CID 95239729

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea?
The IUPAC name of 1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea (CID 94828358) is 1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea?
The canonical SMILES for 1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea is CCCNC(=O)N[C@H](C)c1ccc(CC)cc1.
What is the InChIKey of 1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea?
The InChIKey is DVMBSMAHOXXDNG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-10-15-14(17)16-11(3)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H2,15,16,17)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea?
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea has a molecular weight of 234.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea is sourced from PubChem (CID 94828358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).