1-benzyl-1-cyclopropyl-3-ethylurea

C13H18N2O — CID 127578302

IUPAC1-benzyl-1-cyclopropyl-3-ethylurea
SMILESCCNC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O/c1-2-14-13(16)15(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,16)
InChIKeyKPONYIZDRMHEFF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds4

About 1-benzyl-1-cyclopropyl-3-ethylurea

1-benzyl-1-cyclopropyl-3-ethylurea (PubChem CID 127578302) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-benzyl-1-cyclopropyl-3-ethylurea.

Molecular Properties

Compound Name1-benzyl-1-cyclopropyl-3-ethylurea
PubChem CID127578302
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-benzyl-1-cyclopropyl-3-ethylurea
SMILESCCNC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O/c1-2-14-13(16)15(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,16)
InChIKeyKPONYIZDRMHEFF-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 108890429
2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
N-benzyl-2-bromo-N-cyclopropylbutanamide
CID 62856125
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
[4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 2-chloro-6-methylbenzenesulfonate
CID 71956603
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
CID 86987326
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
CID 42723915
N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide
CID 52675045
N-benzyl-N-cyclopropyl-2,3-difluorobenzamide
CID 62661017

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-cyclopropyl-3-ethylurea?
The IUPAC name of 1-benzyl-1-cyclopropyl-3-ethylurea (CID 127578302) is 1-benzyl-1-cyclopropyl-3-ethylurea.
What is the SMILES notation for 1-benzyl-1-cyclopropyl-3-ethylurea?
The canonical SMILES for 1-benzyl-1-cyclopropyl-3-ethylurea is CCNC(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 1-benzyl-1-cyclopropyl-3-ethylurea?
The InChIKey is KPONYIZDRMHEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-14-13(16)15(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,16).
What are the key properties of 1-benzyl-1-cyclopropyl-3-ethylurea?
1-benzyl-1-cyclopropyl-3-ethylurea has a molecular weight of 218.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-cyclopropyl-3-ethylurea is sourced from PubChem (CID 127578302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).