1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea

C17H24N2O3 — CID 97332499

IUPAC1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea
SMILESC=C(C)COc1cccc(NC(=O)N[C@H]2CCO[C@H](C)C2)c1
InChIInChI=1S/C17H24N2O3/c1-12(2)11-22-16-6-4-5-14(10-16)18-17(20)19-15-7-8-21-13(3)9-15/h4-6,10,13,15H,1,7-9,11H2,2-3H3,(H2,18,19,20)/t13-,15+/m1/s1
InChIKeyNFBOQIPOMYVBDW-HIFRSBDPSA-N
MW304.39 g/mol
LogP3.33
Rot. Bonds5

About 1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea

1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea (PubChem CID 97332499) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea
PubChem CID97332499
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea
SMILESC=C(C)COc1cccc(NC(=O)N[C@H]2CCO[C@H](C)C2)c1
InChIInChI=1S/C17H24N2O3/c1-12(2)11-22-16-6-4-5-14(10-16)18-17(20)19-15-7-8-21-13(3)9-15/h4-6,10,13,15H,1,7-9,11H2,2-3H3,(H2,18,19,20)/t13-,15+/m1/s1
InChIKeyNFBOQIPOMYVBDW-HIFRSBDPSA-N
XLogP3.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea
CID 114108461
1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110015626
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
CID 97254109
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
CID 17122582
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
bis[3-[[3-(2-methylprop-2-enoxy)phenyl]carbamoylamino]phenyl] benzene-1,3-disulfonate
CID 155659657
2-(3-acetamidophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 7698272

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea?
The IUPAC name of 1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea (CID 97332499) is 1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea.
What is the SMILES notation for 1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea?
The canonical SMILES for 1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea is C=C(C)COc1cccc(NC(=O)N[C@H]2CCO[C@H](C)C2)c1.
What is the InChIKey of 1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea?
The InChIKey is NFBOQIPOMYVBDW-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)11-22-16-6-4-5-14(10-16)18-17(20)19-15-7-8-21-13(3)9-15/h4-6,10,13,15H,1,7-9,11H2,2-3H3,(H2,18,19,20)/t13-,15+/m1/s1.
What are the key properties of 1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea?
1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea has a molecular weight of 304.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea is sourced from PubChem (CID 97332499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).