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1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea

C19H31N3O — CID 125446508

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea
SMILESCC(C)CC1(NC(=O)N(C)[C@@H](CN(C)C)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-15(2)13-19(11-12-19)20-18(23)22(5)17(14-21(3)4)16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,20,23)/t17-/m0/s1
InChIKeyPIUIMXYMNPJZGA-KRWDZBQOSA-N
MW317.48 g/mol
LogP3.51
Rot. Bonds7

About 1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea

1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea (PubChem CID 125446508) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea
PubChem CID125446508
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea
SMILESCC(C)CC1(NC(=O)N(C)[C@@H](CN(C)C)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-15(2)13-19(11-12-19)20-18(23)22(5)17(14-21(3)4)16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,20,23)/t17-/m0/s1
InChIKeyPIUIMXYMNPJZGA-KRWDZBQOSA-N
XLogP3.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea?
The IUPAC name of 1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea (CID 125446508) is 1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea.
What is the SMILES notation for 1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea?
The canonical SMILES for 1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea is CC(C)CC1(NC(=O)N(C)[C@@H](CN(C)C)c2ccccc2)CC1.
What is the InChIKey of 1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea?
The InChIKey is PIUIMXYMNPJZGA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15(2)13-19(11-12-19)20-18(23)22(5)17(14-21(3)4)16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,20,23)/t17-/m0/s1.
What are the key properties of 1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea?
1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea has a molecular weight of 317.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[1-(2-methylpropyl)cyclopropyl]urea is sourced from PubChem (CID 125446508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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