1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea

C20H26N2O4 — CID 121085653

IUPAC1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCCCCOc1ccc(NC(=O)NCC(O)(c2ccco2)C2CC2)cc1
InChIInChI=1S/C20H26N2O4/c1-2-3-12-25-17-10-8-16(9-11-17)22-19(23)21-14-20(24,15-6-7-15)18-5-4-13-26-18/h4-5,8-11,13,15,24H,2-3,6-7,12,14H2,1H3,(H2,21,22,23)
InChIKeyALNIGBVWNJYMOG-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.88
Rot. Bonds9

About 1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea

1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 121085653) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID121085653
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCCCCOc1ccc(NC(=O)NCC(O)(c2ccco2)C2CC2)cc1
InChIInChI=1S/C20H26N2O4/c1-2-3-12-25-17-10-8-16(9-11-17)22-19(23)21-14-20(24,15-6-7-15)18-5-4-13-26-18/h4-5,8-11,13,15,24H,2-3,6-7,12,14H2,1H3,(H2,21,22,23)
InChIKeyALNIGBVWNJYMOG-UHFFFAOYSA-N
XLogP3.88
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.88
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-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea
CID 121085634
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methoxyphenyl)urea
CID 121085638
1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea
CID 52992812
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121085486
2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 66174903
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734854
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100717361
N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 95982418
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
CID 95982342
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90497055

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea (CID 121085653) is 1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea is CCCCOc1ccc(NC(=O)NCC(O)(c2ccco2)C2CC2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is ALNIGBVWNJYMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-2-3-12-25-17-10-8-16(9-11-17)22-19(23)21-14-20(24,15-6-7-15)18-5-4-13-26-18/h4-5,8-11,13,15,24H,2-3,6-7,12,14H2,1H3,(H2,21,22,23).
What are the key properties of 1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea?
1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 358.44 g/mol, XLogP of 3.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 121085653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).