1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea

C18H24N2O4 — CID 110893573

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(C)Oc1cccc(C(C)NC(=O)NCC(O)c2ccco2)c1
InChIInChI=1S/C18H24N2O4/c1-12(2)24-15-7-4-6-14(10-15)13(3)20-18(22)19-11-16(21)17-8-5-9-23-17/h4-10,12-13,16,21H,11H2,1-3H3,(H2,19,20,22)
InChIKeyMTCUOUIFPXFIKA-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.16
Rot. Bonds7

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea (PubChem CID 110893573) 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-[1-(3-propan-2-yloxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
PubChem CID110893573
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(C)Oc1cccc(C(C)NC(=O)NCC(O)c2ccco2)c1
InChIInChI=1S/C18H24N2O4/c1-12(2)24-15-7-4-6-14(10-15)13(3)20-18(22)19-11-16(21)17-8-5-9-23-17/h4-10,12-13,16,21H,11H2,1-3H3,(H2,19,20,22)
InChIKeyMTCUOUIFPXFIKA-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110893540
N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide
CID 95041246
1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115244
1-[(1S)-1-(3-cyanophenyl)ethyl]-3-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086720
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111174196
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86994180
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 111423746
1-[1-(3-ethoxyphenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110909256
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide
CID 111441141
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
1-[1-(3,5-dimethylphenyl)propan-2-yl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508471
N-(furan-2-ylmethyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]acetamide
CID 146125544

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea (CID 110893573) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea is CC(C)Oc1cccc(C(C)NC(=O)NCC(O)c2ccco2)c1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
The InChIKey is MTCUOUIFPXFIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)24-15-7-4-6-14(10-15)13(3)20-18(22)19-11-16(21)17-8-5-9-23-17/h4-10,12-13,16,21H,11H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea has a molecular weight of 332.40 g/mol, XLogP of 3.16, 7 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-[1-(3-propan-2-yloxyphenyl)ethyl]urea is sourced from PubChem (CID 110893573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).