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

C16H24N2O3 — CID 60612373

IUPAC1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)NCC1(c2ccccc2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-12(10-20-2)18-15(19)17-11-16(8-9-16)13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H2,17,18,19)
InChIKeyRUMAOYKVHCNDIC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.06
Rot. Bonds7

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

1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea (PubChem CID 60612373) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea
PubChem CID60612373
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)NCC1(c2ccccc2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-12(10-20-2)18-15(19)17-11-16(8-9-16)13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H2,17,18,19)
InChIKeyRUMAOYKVHCNDIC-UHFFFAOYSA-N
XLogP2.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 60612371
1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 60612250
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 110446815
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75518109
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
1-[(2-hydroxycyclopentyl)methyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 71868395
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110444314
2-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylpentanamide
CID 119747072

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea?
The IUPAC name of 1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea (CID 60612373) is 1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea.
What is the SMILES notation for 1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea?
The canonical SMILES for 1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea is COCC(C)NC(=O)NCC1(c2ccccc2OC)CC1.
What is the InChIKey of 1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea?
The InChIKey is RUMAOYKVHCNDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(10-20-2)18-15(19)17-11-16(8-9-16)13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea?
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea is sourced from PubChem (CID 60612373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).