1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea

C12H18N2O2 — CID 95239729

IUPAC1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)N[C@H](C)c1cccc(O)c1
InChIInChI=1S/C12H18N2O2/c1-3-7-13-12(16)14-9(2)10-5-4-6-11(15)8-10/h4-6,8-9,15H,3,7H2,1-2H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyBANRENMIBKWENG-SECBINFHSA-N
MW222.29 g/mol
LogP2.16
Rot. Bonds4

About 1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea

1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea (PubChem CID 95239729) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea
PubChem CID95239729
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)N[C@H](C)c1cccc(O)c1
InChIInChI=1S/C12H18N2O2/c1-3-7-13-12(16)14-9(2)10-5-4-6-11(15)8-10/h4-6,8-9,15H,3,7H2,1-2H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyBANRENMIBKWENG-SECBINFHSA-N
XLogP2.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 79025425
1-butyl-3-[1-(3-prop-1-en-2-ylphenyl)ethyl]urea
CID 144583154
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propylurea
CID 29024804
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
2-(3-hydroxyphenoxy)-N-propylpropanamide
CID 43143504
2-(ethylamino)-N-[1-(3-hydroxyphenyl)ethyl]-2-methylpropanamide
CID 55121666
1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-propylurea
CID 94211375
N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
3-[1-(3-bromophenyl)ethylcarbamoylamino]propanoic acid
CID 54967412

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea?
The IUPAC name of 1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea (CID 95239729) is 1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea?
The canonical SMILES for 1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea is CCCNC(=O)N[C@H](C)c1cccc(O)c1.
What is the InChIKey of 1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea?
The InChIKey is BANRENMIBKWENG-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-7-13-12(16)14-9(2)10-5-4-6-11(15)8-10/h4-6,8-9,15H,3,7H2,1-2H3,(H2,13,14,16)/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea?
1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea has a molecular weight of 222.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea is sourced from PubChem (CID 95239729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).