1-butyl-3-[(1-ethylcyclobutyl)methyl]urea

C12H24N2O — CID 103740930

IUPAC1-butyl-3-[(1-ethylcyclobutyl)methyl]urea
SMILESCCCCNC(=O)NCC1(CC)CCC1
InChIInChI=1S/C12H24N2O/c1-3-5-9-13-11(15)14-10-12(4-2)7-6-8-12/h3-10H2,1-2H3,(H2,13,14,15)
InChIKeyAGTDAZCGFJJJPD-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.67
Rot. Bonds6

About 1-butyl-3-[(1-ethylcyclobutyl)methyl]urea

1-butyl-3-[(1-ethylcyclobutyl)methyl]urea (PubChem CID 103740930) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-butyl-3-[(1-ethylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-butyl-3-[(1-ethylcyclobutyl)methyl]urea
PubChem CID103740930
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-butyl-3-[(1-ethylcyclobutyl)methyl]urea
SMILESCCCCNC(=O)NCC1(CC)CCC1
InChIInChI=1S/C12H24N2O/c1-3-5-9-13-11(15)14-10-12(4-2)7-6-8-12/h3-10H2,1-2H3,(H2,13,14,15)
InChIKeyAGTDAZCGFJJJPD-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-butylurea
CID 115456919
4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid
CID 122006389
1-butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470050
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811
1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111969619
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790
N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119782138
N-[(1-ethylcyclopentyl)methyl]-2,2,2-trifluoroacetamide
CID 103766554
2-[1-(butylaminomethyl)cyclopentyl]acetic acid
CID 23174791

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(1-ethylcyclobutyl)methyl]urea?
The IUPAC name of 1-butyl-3-[(1-ethylcyclobutyl)methyl]urea (CID 103740930) is 1-butyl-3-[(1-ethylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-butyl-3-[(1-ethylcyclobutyl)methyl]urea?
The canonical SMILES for 1-butyl-3-[(1-ethylcyclobutyl)methyl]urea is CCCCNC(=O)NCC1(CC)CCC1.
What is the InChIKey of 1-butyl-3-[(1-ethylcyclobutyl)methyl]urea?
The InChIKey is AGTDAZCGFJJJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-9-13-11(15)14-10-12(4-2)7-6-8-12/h3-10H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-butyl-3-[(1-ethylcyclobutyl)methyl]urea?
1-butyl-3-[(1-ethylcyclobutyl)methyl]urea has a molecular weight of 212.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(1-ethylcyclobutyl)methyl]urea is sourced from PubChem (CID 103740930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).