1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

C18H24N2O4 — CID 111479484

IUPAC1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCc1cccc(C)c1OCCNC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C18H24N2O4/c1-13-6-4-7-14(2)16(13)24-11-9-19-17(21)20-12-18(3,22)15-8-5-10-23-15/h4-8,10,22H,9,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyPGUHJWJZMQYDIE-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.48
Rot. Bonds7

About 1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (PubChem CID 111479484) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
PubChem CID111479484
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCc1cccc(C)c1OCCNC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C18H24N2O4/c1-13-6-4-7-14(2)16(13)24-11-9-19-17(21)20-12-18(3,22)15-8-5-10-23-15/h4-8,10,22H,9,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyPGUHJWJZMQYDIE-UHFFFAOYSA-N
XLogP2.48
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111480872
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504976
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea
CID 111480757
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 111479543
1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 71870363
1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95983787
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (CID 111479484) is 1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is Cc1cccc(C)c1OCCNC(=O)NCC(C)(O)c1ccco1.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The InChIKey is PGUHJWJZMQYDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-6-4-7-14(2)16(13)24-11-9-19-17(21)20-12-18(3,22)15-8-5-10-23-15/h4-8,10,22H,9,11-12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea has a molecular weight of 332.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 111479484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).