1-benzyl-3-phenyl-1-propan-2-ylurea;ethane

C21H32N2O — CID 160933231

IUPAC1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
SMILESCC.CC.CC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O.2C2H6/c1-14(2)19(13-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16;2*1-2/h3-12,14H,13H2,1-2H3,(H,18,20);2*1-2H3
InChIKeySTNNNGYIDMOUCT-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.18
Rot. Bonds4

About 1-benzyl-3-phenyl-1-propan-2-ylurea;ethane

1-benzyl-3-phenyl-1-propan-2-ylurea;ethane (PubChem CID 160933231) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-1-propan-2-ylurea;ethane.

Molecular Properties

Compound Name1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
PubChem CID160933231
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
SMILESCC.CC.CC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O.2C2H6/c1-14(2)19(13-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16;2*1-2/h3-12,14H,13H2,1-2H3,(H,18,20);2*1-2H3
InChIKeySTNNNGYIDMOUCT-UHFFFAOYSA-N
XLogP6.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate
CID 108865087
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68520643
4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149711
1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea
CID 108990757
N-benzyl-N-propan-2-ylacetamide
CID 23534449
2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 61266533
(2S)-2-[benzyl-[(4-chlorophenyl)carbamoyl]amino]-3-methylbutanoic acid
CID 11792903
1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
CID 47363759

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-1-propan-2-ylurea;ethane?
The IUPAC name of 1-benzyl-3-phenyl-1-propan-2-ylurea;ethane (CID 160933231) is 1-benzyl-3-phenyl-1-propan-2-ylurea;ethane.
What is the SMILES notation for 1-benzyl-3-phenyl-1-propan-2-ylurea;ethane?
The canonical SMILES for 1-benzyl-3-phenyl-1-propan-2-ylurea;ethane is CC.CC.CC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenyl-1-propan-2-ylurea;ethane?
The InChIKey is STNNNGYIDMOUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.2C2H6/c1-14(2)19(13-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16;2*1-2/h3-12,14H,13H2,1-2H3,(H,18,20);2*1-2H3.
What are the key properties of 1-benzyl-3-phenyl-1-propan-2-ylurea;ethane?
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane has a molecular weight of 328.50 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-1-propan-2-ylurea;ethane is sourced from PubChem (CID 160933231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).