1-benzyl-3-ethyl-1-propan-2-ylurea

C13H20N2O — CID 108890429

IUPAC1-benzyl-3-ethyl-1-propan-2-ylurea
SMILESCCNC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C13H20N2O/c1-4-14-13(16)15(11(2)3)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,14,16)
InChIKeyIBXOKDLYALHIKZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.63
Rot. Bonds4

About 1-benzyl-3-ethyl-1-propan-2-ylurea

1-benzyl-3-ethyl-1-propan-2-ylurea (PubChem CID 108890429) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-ethyl-1-propan-2-ylurea
PubChem CID108890429
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-benzyl-3-ethyl-1-propan-2-ylurea
SMILESCCNC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C13H20N2O/c1-4-14-13(16)15(11(2)3)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,14,16)
InChIKeyIBXOKDLYALHIKZ-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 80537936
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea
CID 108910908
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
CID 108902247
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea
CID 113213861
N-benzyl-N-propan-2-ylacetamide
CID 23534449
2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 61266533
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112971419

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-ethyl-1-propan-2-ylurea (CID 108890429) is 1-benzyl-3-ethyl-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-ethyl-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-ethyl-1-propan-2-ylurea is CCNC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of 1-benzyl-3-ethyl-1-propan-2-ylurea?
The InChIKey is IBXOKDLYALHIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-14-13(16)15(11(2)3)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,14,16).
What are the key properties of 1-benzyl-3-ethyl-1-propan-2-ylurea?
1-benzyl-3-ethyl-1-propan-2-ylurea has a molecular weight of 220.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-1-propan-2-ylurea is sourced from PubChem (CID 108890429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).