ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate

C18H25N3O4 — CID 56806860

IUPACethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(CNC(=O)Nc2cccc(C(=O)N(C)C)c2)CCC1
InChIInChI=1S/C18H25N3O4/c1-4-25-16(23)18(9-6-10-18)12-19-17(24)20-14-8-5-7-13(11-14)15(22)21(2)3/h5,7-8,11H,4,6,9-10,12H2,1-3H3,(H2,19,20,24)
InChIKeyNQWFDUMWNBRTLQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.24
Rot. Bonds6

About ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate

ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate (PubChem CID 56806860) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate
PubChem CID56806860
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nameethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(CNC(=O)Nc2cccc(C(=O)N(C)C)c2)CCC1
InChIInChI=1S/C18H25N3O4/c1-4-25-16(23)18(9-6-10-18)12-19-17(24)20-14-8-5-7-13(11-14)15(22)21(2)3/h5,7-8,11H,4,6,9-10,12H2,1-3H3,(H2,19,20,24)
InChIKeyNQWFDUMWNBRTLQ-UHFFFAOYSA-N
XLogP2.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide
CID 81171958
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115452538
3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
CID 47201886
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 97316852
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate
CID 79345340
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
CID 115431854
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate (CID 56806860) is ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate is CCOC(=O)C1(CNC(=O)Nc2cccc(C(=O)N(C)C)c2)CCC1.
What is the InChIKey of ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate?
The InChIKey is NQWFDUMWNBRTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-4-25-16(23)18(9-6-10-18)12-19-17(24)20-14-8-5-7-13(11-14)15(22)21(2)3/h5,7-8,11H,4,6,9-10,12H2,1-3H3,(H2,19,20,24).
What are the key properties of ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate?
ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 56806860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).