1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea

C18H23N3O — CID 32838068

IUPAC1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
SMILESCN(C)[C@@H](CNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-21(2)17(16-11-7-4-8-12-16)14-20-18(22)19-13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H2,19,20,22)/t17-/m0/s1
InChIKeyCQFDEAVZQNKFAY-KRWDZBQOSA-N
MW297.40 g/mol
LogP2.79
Rot. Bonds6

About 1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea

1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea (PubChem CID 32838068) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
PubChem CID32838068
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
SMILESCN(C)[C@@H](CNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-21(2)17(16-11-7-4-8-12-16)14-20-18(22)19-13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H2,19,20,22)/t17-/m0/s1
InChIKeyCQFDEAVZQNKFAY-KRWDZBQOSA-N
XLogP2.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
CID 110301965
1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314007
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314006
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24664488
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9369212
N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639141
1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55924789
3-(benzylcarbamoylamino)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 24640092
3-(benzylcarbamoylamino)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 30526143
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
1-[2-(dimethylamino)-2-phenylethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55739594
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea?
The IUPAC name of 1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea (CID 32838068) is 1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea.
What is the SMILES notation for 1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea?
The canonical SMILES for 1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea is CN(C)[C@@H](CNC(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea?
The InChIKey is CQFDEAVZQNKFAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(2)17(16-11-7-4-8-12-16)14-20-18(22)19-13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H2,19,20,22)/t17-/m0/s1.
What are the key properties of 1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea?
1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea has a molecular weight of 297.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea is sourced from PubChem (CID 32838068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).