1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea

C17H26N2O4 — CID 125136206

IUPAC1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea
SMILESCOc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCO[C@H](C)C2)cc1
InChIInChI=1S/C17H26N2O4/c1-12-10-14(8-9-22-12)19-17(20)18-11-13(2)23-16-6-4-15(21-3)5-7-16/h4-7,12-14H,8-11H2,1-3H3,(H2,18,19,20)/t12-,13-,14-/m1/s1
InChIKeyFBAHASYVQFPOAK-MGPQQGTHSA-N
MW322.41 g/mol
LogP2.33
Rot. Bonds6

About 1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea

1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea (PubChem CID 125136206) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea
PubChem CID125136206
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea
SMILESCOc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCO[C@H](C)C2)cc1
InChIInChI=1S/C17H26N2O4/c1-12-10-14(8-9-22-12)19-17(20)18-11-13(2)23-16-6-4-15(21-3)5-7-16/h4-7,12-14H,8-11H2,1-3H3,(H2,18,19,20)/t12-,13-,14-/m1/s1
InChIKeyFBAHASYVQFPOAK-MGPQQGTHSA-N
XLogP2.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea
CID 129374206
1-(2-methyloxan-4-yl)-3-propylurea
CID 103887319
1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-[(2S,4S)-2-methyloxan-4-yl]urea
CID 129471381
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 112501881
1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea
CID 111508697
2-(4-methoxyphenoxy)-N-(3-methylcyclopentyl)propanamide
CID 114549547
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea
CID 47172067
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350
(2S)-3-methyl-2-[(2-methyloxan-4-yl)carbamoylamino]butanoic acid
CID 113364577
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea
CID 100678238

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea?
The IUPAC name of 1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea (CID 125136206) is 1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea.
What is the SMILES notation for 1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea?
The canonical SMILES for 1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea is COc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCO[C@H](C)C2)cc1.
What is the InChIKey of 1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea?
The InChIKey is FBAHASYVQFPOAK-MGPQQGTHSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12-10-14(8-9-22-12)19-17(20)18-11-13(2)23-16-6-4-15(21-3)5-7-16/h4-7,12-14H,8-11H2,1-3H3,(H2,18,19,20)/t12-,13-,14-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea?
1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea has a molecular weight of 322.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea is sourced from PubChem (CID 125136206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).