1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea

C18H24N2O4 — CID 110908541

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
SMILESCOc1ccc(CCC(C)NC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C18H24N2O4/c1-13(5-6-14-7-9-15(23-2)10-8-14)20-18(22)19-12-16(21)17-4-3-11-24-17/h3-4,7-11,13,16,21H,5-6,12H2,1-2H3,(H2,19,20,22)
InChIKeyWFRDQSUNELEYDT-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.64
Rot. Bonds8

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea (PubChem CID 110908541) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
PubChem CID110908541
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
SMILESCOc1ccc(CCC(C)NC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C18H24N2O4/c1-13(5-6-14-7-9-15(23-2)10-8-14)20-18(22)19-12-16(21)17-4-3-11-24-17/h3-4,7-11,13,16,21H,5-6,12H2,1-2H3,(H2,19,20,22)
InChIKeyWFRDQSUNELEYDT-UHFFFAOYSA-N
XLogP2.64
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-methoxyphenyl)propanamide
CID 111108626
N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 43776737
1-[1-(3,5-dimethylphenyl)propan-2-yl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508471
N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 95740998
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea
CID 95159972
[1-(furan-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105213476
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 110893573
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 97225190

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea (CID 110908541) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea is COc1ccc(CCC(C)NC(=O)NCC(O)c2ccco2)cc1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea?
The InChIKey is WFRDQSUNELEYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13(5-6-14-7-9-15(23-2)10-8-14)20-18(22)19-12-16(21)17-4-3-11-24-17/h3-4,7-11,13,16,21H,5-6,12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea has a molecular weight of 332.40 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 110908541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).