1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine

C18H27N3O2S — CID 145230148

IUPAC1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine
SMILESCNC.O=C(NCCCc1ccc(O)cc1)NCCc1ccsc1
InChIInChI=1S/C16H20N2O2S.C2H7N/c19-15-5-3-13(4-6-15)2-1-9-17-16(20)18-10-7-14-8-11-21-12-14;1-3-2/h3-6,8,11-12,19H,1-2,7,9-10H2,(H2,17,18,20);3H,1-2H3
InChIKeyUDCQJCCMMONHFQ-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.76
Rot. Bonds7

About 1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine

1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine (PubChem CID 145230148) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine
PubChem CID145230148
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine
SMILESCNC.O=C(NCCCc1ccc(O)cc1)NCCc1ccsc1
InChIInChI=1S/C16H20N2O2S.C2H7N/c19-15-5-3-13(4-6-15)2-1-9-17-16(20)18-10-7-14-8-11-21-12-14;1-3-2/h3-6,8,11-12,19H,1-2,7,9-10H2,(H2,17,18,20);3H,1-2H3
InChIKeyUDCQJCCMMONHFQ-UHFFFAOYSA-N
XLogP2.76
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
1-(2-hydroxy-3,3-dimethylbutyl)-3-[3-(4-hydroxyphenyl)propyl]urea
CID 111428404
2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid
CID 61236394
1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
CID 111428407
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 61477594
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide
CID 103890273

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine?
The IUPAC name of 1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine (CID 145230148) is 1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine?
The canonical SMILES for 1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine is CNC.O=C(NCCCc1ccc(O)cc1)NCCc1ccsc1.
What is the InChIKey of 1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine?
The InChIKey is UDCQJCCMMONHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.C2H7N/c19-15-5-3-13(4-6-15)2-1-9-17-16(20)18-10-7-14-8-11-21-12-14;1-3-2/h3-6,8,11-12,19H,1-2,7,9-10H2,(H2,17,18,20);3H,1-2H3.
What are the key properties of 1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine?
1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine has a molecular weight of 349.50 g/mol, XLogP of 2.76, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine is sourced from PubChem (CID 145230148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).