1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea

C19H28N2O3 — CID 129374206

IUPAC1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea
SMILESCc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-13-3-7-17(8-4-13)24-14(2)12-20-19(22)21-16-9-10-23-18(11-16)15-5-6-15/h3-4,7-8,14-16,18H,5-6,9-12H2,1-2H3,(H2,20,21,22)/t14-,16-,18+/m1/s1
InChIKeyNFZXOIVHRQDZRE-KYJSFNMBSA-N
MW332.44 g/mol
LogP3.02
Rot. Bonds6

About 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea

1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea (PubChem CID 129374206) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea
PubChem CID129374206
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea
SMILESCc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-13-3-7-17(8-4-13)24-14(2)12-20-19(22)21-16-9-10-23-18(11-16)15-5-6-15/h3-4,7-8,14-16,18H,5-6,9-12H2,1-2H3,(H2,20,21,22)/t14-,16-,18+/m1/s1
InChIKeyNFZXOIVHRQDZRE-KYJSFNMBSA-N
XLogP3.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea with MolForge

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Related Compounds

1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea
CID 125136206
1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
CID 91660622
1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
CID 86793796
(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
CID 120924570
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616040
N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 96566487
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616041
1-[2-(4-methylphenyl)propyl]-3-(2-pyridin-4-yloxan-4-yl)urea
CID 166236161
1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea
CID 99578632
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124845954
4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672729
1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea
CID 111508697

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea?
The IUPAC name of 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea (CID 129374206) is 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea?
The canonical SMILES for 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea is Cc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1.
What is the InChIKey of 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea?
The InChIKey is NFZXOIVHRQDZRE-KYJSFNMBSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-3-7-17(8-4-13)24-14(2)12-20-19(22)21-16-9-10-23-18(11-16)15-5-6-15/h3-4,7-8,14-16,18H,5-6,9-12H2,1-2H3,(H2,20,21,22)/t14-,16-,18+/m1/s1.
What are the key properties of 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea?
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea has a molecular weight of 332.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea is sourced from PubChem (CID 129374206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).