1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea

C19H22N2O2 — CID 112838266

IUPAC1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea
SMILESCc1cccc(Oc2ccccc2NC(=O)N(C)CC2CC2)c1
InChIInChI=1S/C19H22N2O2/c1-14-6-5-7-16(12-14)23-18-9-4-3-8-17(18)20-19(22)21(2)13-15-10-11-15/h3-9,12,15H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyROIIQCZUSNHWMD-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.66
Rot. Bonds5

About 1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea

1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea (PubChem CID 112838266) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea
PubChem CID112838266
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea
SMILESCc1cccc(Oc2ccccc2NC(=O)N(C)CC2CC2)c1
InChIInChI=1S/C19H22N2O2/c1-14-6-5-7-16(12-14)23-18-9-4-3-8-17(18)20-19(22)21(2)13-15-10-11-15/h3-9,12,15H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyROIIQCZUSNHWMD-UHFFFAOYSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 112824865
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120783599
2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 63747082
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea
CID 72887475
1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea
CID 118761947
1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea
CID 111105100
(2R)-2-amino-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 78973374
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenoxy)phenyl]acetamide;hydrochloride
CID 119745784
N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17428929

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea (CID 112838266) is 1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea is Cc1cccc(Oc2ccccc2NC(=O)N(C)CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea?
The InChIKey is ROIIQCZUSNHWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-6-5-7-16(12-14)23-18-9-4-3-8-17(18)20-19(22)21(2)13-15-10-11-15/h3-9,12,15H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea?
1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea has a molecular weight of 310.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea is sourced from PubChem (CID 112838266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).