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

C23H25N3O — CID 166761787

IUPAC1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea
SMILESO=C(NCc1ccccc1)N[C@@H](CNCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N3O/c27-23(25-17-20-12-6-2-7-13-20)26-22(21-14-8-3-9-15-21)18-24-16-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2,(H2,25,26,27)/t22-/m0/s1
InChIKeyFFRVLCWBFRJLTF-QFIPXVFZSA-N
MW359.47 g/mol
LogP4.02
Rot. Bonds8

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

1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea (PubChem CID 166761787) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea
PubChem CID166761787
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea
SMILESO=C(NCc1ccccc1)N[C@@H](CNCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N3O/c27-23(25-17-20-12-6-2-7-13-20)26-22(21-14-8-3-9-15-21)18-24-16-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2,(H2,25,26,27)/t22-/m0/s1
InChIKeyFFRVLCWBFRJLTF-QFIPXVFZSA-N
XLogP4.02
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide
CID 130678853
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
CID 111454309
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
(2R)-2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 80749676
1-benzyl-3-butan-2-ylurea
CID 10512480
2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 61183567
1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea?
The IUPAC name of 1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea (CID 166761787) is 1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea.
What is the SMILES notation for 1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea?
The canonical SMILES for 1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea is O=C(NCc1ccccc1)N[C@@H](CNCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea?
The InChIKey is FFRVLCWBFRJLTF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(25-17-20-12-6-2-7-13-20)26-22(21-14-8-3-9-15-21)18-24-16-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2,(H2,25,26,27)/t22-/m0/s1.
What are the key properties of 1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea?
1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea has a molecular weight of 359.47 g/mol, XLogP of 4.02, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea is sourced from PubChem (CID 166761787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).