3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea

C19H25N3O2 — CID 71969590

IUPAC3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea
SMILESCOc1ccccc1C1(CNC(=O)N(C)Cc2cccn2C)CC1
InChIInChI=1S/C19H25N3O2/c1-21-12-6-7-15(21)13-22(2)18(23)20-14-19(10-11-19)16-8-4-5-9-17(16)24-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,20,23)
InChIKeyFHJDVZNFWLWLBG-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.91
Rot. Bonds6

About 3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea

3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea (PubChem CID 71969590) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea
PubChem CID71969590
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea
SMILESCOc1ccccc1C1(CNC(=O)N(C)Cc2cccn2C)CC1
InChIInChI=1S/C19H25N3O2/c1-21-12-6-7-15(21)13-22(2)18(23)20-14-19(10-11-19)16-8-4-5-9-17(16)24-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,20,23)
InChIKeyFHJDVZNFWLWLBG-UHFFFAOYSA-N
XLogP2.91
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea
CID 84585180
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 60612371
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide
CID 110441001
3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111271356
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 110446815
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
N-cyclopropyl-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759797

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea?
The IUPAC name of 3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea (CID 71969590) is 3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea.
What is the SMILES notation for 3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea?
The canonical SMILES for 3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea is COc1ccccc1C1(CNC(=O)N(C)Cc2cccn2C)CC1.
What is the InChIKey of 3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea?
The InChIKey is FHJDVZNFWLWLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21-12-6-7-15(21)13-22(2)18(23)20-14-19(10-11-19)16-8-4-5-9-17(16)24-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,20,23).
What are the key properties of 3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea?
3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea has a molecular weight of 327.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea is sourced from PubChem (CID 71969590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).