1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea

C18H27FN2O3 — CID 71977305

IUPAC1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCC2CCOC2C(C)C)cc1F
InChIInChI=1S/C18H27FN2O3/c1-11(2)17-14(7-8-24-17)10-20-18(22)21-12(3)13-5-6-16(23-4)15(19)9-13/h5-6,9,11-12,14,17H,7-8,10H2,1-4H3,(H2,20,21,22)
InChIKeyJWTJZKHFRVJQED-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.26
Rot. Bonds6

About 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea

1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (PubChem CID 71977305) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
PubChem CID71977305
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCC2CCOC2C(C)C)cc1F
InChIInChI=1S/C18H27FN2O3/c1-11(2)17-14(7-8-24-17)10-20-18(22)21-12(3)13-5-6-16(23-4)15(19)9-13/h5-6,9,11-12,14,17H,7-8,10H2,1-4H3,(H2,20,21,22)
InChIKeyJWTJZKHFRVJQED-UHFFFAOYSA-N
XLogP3.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea with MolForge

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Related Compounds

1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 99107240
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
CID 129471370
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
N-(2-fluoroethyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylcarbamoylamino]propanamide
CID 119051460
(2S)-N-(2-fluoroethyl)-2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]propanamide
CID 124843702
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399228
2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399227
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399230
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (CID 71977305) is 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is COc1ccc(C(C)NC(=O)NCC2CCOC2C(C)C)cc1F.
What is the InChIKey of 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The InChIKey is JWTJZKHFRVJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-11(2)17-14(7-8-24-17)10-20-18(22)21-12(3)13-5-6-16(23-4)15(19)9-13/h5-6,9,11-12,14,17H,7-8,10H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea has a molecular weight of 338.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is sourced from PubChem (CID 71977305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).