1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea

C19H28N2O2 — CID 91660622

IUPAC1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
SMILESCc1cccc(C(C)CNC(=O)NC2CCOC(C3CC3)C2)c1
InChIInChI=1S/C19H28N2O2/c1-13-4-3-5-16(10-13)14(2)12-20-19(22)21-17-8-9-23-18(11-17)15-6-7-15/h3-5,10,14-15,17-18H,6-9,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyNYESLHFLQXTGSB-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.36
Rot. Bonds5

About 1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea

1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea (PubChem CID 91660622) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
PubChem CID91660622
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
SMILESCc1cccc(C(C)CNC(=O)NC2CCOC(C3CC3)C2)c1
InChIInChI=1S/C19H28N2O2/c1-13-4-3-5-16(10-13)14(2)12-20-19(22)21-17-8-9-23-18(11-17)15-6-7-15/h3-5,10,14-15,17-18H,6-9,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyNYESLHFLQXTGSB-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 86793358
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea
CID 129374206
1-[2-(4-methylphenyl)propyl]-3-(2-pyridin-4-yloxan-4-yl)urea
CID 166236161
1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
CID 86793796
1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(2S)-2-(3-methylphenyl)propyl]urea
CID 129402956
2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide
CID 110015933
N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
CID 124571830
1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea
CID 111459209
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea
CID 124623277
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616040
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616041
1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea
CID 99578632

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea?
The IUPAC name of 1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea (CID 91660622) is 1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea.
What is the SMILES notation for 1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea?
The canonical SMILES for 1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea is Cc1cccc(C(C)CNC(=O)NC2CCOC(C3CC3)C2)c1.
What is the InChIKey of 1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea?
The InChIKey is NYESLHFLQXTGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-4-3-5-16(10-13)14(2)12-20-19(22)21-17-8-9-23-18(11-17)15-6-7-15/h3-5,10,14-15,17-18H,6-9,11-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea?
1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea has a molecular weight of 316.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea is sourced from PubChem (CID 91660622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).