1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid

C16H22N2O3 — CID 81155992

IUPAC1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid
SMILESCCCc1ccc(NC(=O)CNC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-4-12-5-7-13(8-6-12)18-14(19)11-17-16(15(20)21)9-3-10-16/h5-8,17H,2-4,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyLMBNHHCKFAHSON-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.17
Rot. Bonds7

About 1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid

1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81155992) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81155992
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid
SMILESCCCc1ccc(NC(=O)CNC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-4-12-5-7-13(8-6-12)18-14(19)11-17-16(15(20)21)9-3-10-16/h5-8,17H,2-4,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyLMBNHHCKFAHSON-UHFFFAOYSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096237
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957889
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid
CID 43468513
1-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81168189
N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide
CID 113488714
2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid
CID 64616096

Frequently Asked Questions

What is the IUPAC name of 1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid (CID 81155992) is 1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid is CCCc1ccc(NC(=O)CNC2(C(=O)O)CCC2)cc1.
What is the InChIKey of 1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is LMBNHHCKFAHSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-4-12-5-7-13(8-6-12)18-14(19)11-17-16(15(20)21)9-3-10-16/h5-8,17H,2-4,9-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81155992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).