1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea

C22H27N3O2 — CID 51945239

IUPAC1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESCOc1ccc([C@H](NC(=O)Nc2ccccc2N2CCCC2)C2CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-27-18-12-10-17(11-13-18)21(16-8-9-16)24-22(26)23-19-6-2-3-7-20(19)25-14-4-5-15-25/h2-3,6-7,10-13,16,21H,4-5,8-9,14-15H2,1H3,(H2,23,24,26)/t21-/m1/s1
InChIKeyXFFAQMCGZNBWHP-OAQYLSRUSA-N
MW365.48 g/mol
LogP4.57
Rot. Bonds6

About 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea

1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea (PubChem CID 51945239) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
PubChem CID51945239
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESCOc1ccc([C@H](NC(=O)Nc2ccccc2N2CCCC2)C2CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-27-18-12-10-17(11-13-18)21(16-8-9-16)24-22(26)23-19-6-2-3-7-20(19)25-14-4-5-15-25/h2-3,6-7,10-13,16,21H,4-5,8-9,14-15H2,1H3,(H2,23,24,26)/t21-/m1/s1
InChIKeyXFFAQMCGZNBWHP-OAQYLSRUSA-N
XLogP4.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 51327229
2-(4-methoxyphenoxy)-N-(2-piperidin-1-ylphenyl)propanamide
CID 42935521
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 26520222
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110316961
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 17435926
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 46509264

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea (CID 51945239) is 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea is COc1ccc([C@H](NC(=O)Nc2ccccc2N2CCCC2)C2CC2)cc1.
What is the InChIKey of 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The InChIKey is XFFAQMCGZNBWHP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-27-18-12-10-17(11-13-18)21(16-8-9-16)24-22(26)23-19-6-2-3-7-20(19)25-14-4-5-15-25/h2-3,6-7,10-13,16,21H,4-5,8-9,14-15H2,1H3,(H2,23,24,26)/t21-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea has a molecular weight of 365.48 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 51945239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).