1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea

C15H22N2O2 — CID 38272161

IUPAC1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccccc1CNC(=O)N(C)[C@H](C)C1CC1
InChIInChI=1S/C15H22N2O2/c1-11(12-8-9-12)17(2)15(18)16-10-13-6-4-5-7-14(13)19-3/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyFWILLXHGWAFUSC-LLVKDONJSA-N
MW262.35 g/mol
LogP2.64
Rot. Bonds5

About 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea

1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea (PubChem CID 38272161) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
PubChem CID38272161
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccccc1CNC(=O)N(C)[C@H](C)C1CC1
InChIInChI=1S/C15H22N2O2/c1-11(12-8-9-12)17(2)15(18)16-10-13-6-4-5-7-14(13)19-3/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyFWILLXHGWAFUSC-LLVKDONJSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565858
1-[(1S)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565857
2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61181869
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide
CID 91829099
2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 62695631
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea
CID 71867771
1-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 47075746

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea (CID 38272161) is 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea is COc1ccccc1CNC(=O)N(C)[C@H](C)C1CC1.
What is the InChIKey of 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is FWILLXHGWAFUSC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(12-8-9-12)17(2)15(18)16-10-13-6-4-5-7-14(13)19-3/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea?
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 262.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 38272161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).