3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide

C15H22N2O — CID 115161397

IUPAC3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
SMILESCCCc1ccc(N(C)C(=O)C2CC(N)C2)cc1
InChIInChI=1S/C15H22N2O/c1-3-4-11-5-7-14(8-6-11)17(2)15(18)12-9-13(16)10-12/h5-8,12-13H,3-4,9-10,16H2,1-2H3
InChIKeyWPLSQDJTZVVJJN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.34
Rot. Bonds4

About 3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide

3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide (PubChem CID 115161397) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
PubChem CID115161397
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
SMILESCCCc1ccc(N(C)C(=O)C2CC(N)C2)cc1
InChIInChI=1S/C15H22N2O/c1-3-4-11-5-7-14(8-6-11)17(2)15(18)12-9-13(16)10-12/h5-8,12-13H,3-4,9-10,16H2,1-2H3
InChIKeyWPLSQDJTZVVJJN-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 115159880
methyl-(4-propylphenyl)carbamic acid
CID 115170704
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide
CID 115161388
3-amino-N-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 115161711
N-methyl-N-(4-propylphenyl)morpholine-3-carboxamide
CID 115177584
N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide
CID 119343628
4-amino-N-methyl-N-(4-propylphenyl)benzamide
CID 115160987
N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160309
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide
CID 115161446
2-cyano-N-methyl-N-(4-propylphenyl)acetamide
CID 115172956
3-amino-N-(4-methoxy-3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161460
N-methyl-N-(4-propylphenyl)piperazine-1-carboxamide
CID 115171520

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide (CID 115161397) is 3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide is CCCc1ccc(N(C)C(=O)C2CC(N)C2)cc1.
What is the InChIKey of 3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide?
The InChIKey is WPLSQDJTZVVJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-4-11-5-7-14(8-6-11)17(2)15(18)12-9-13(16)10-12/h5-8,12-13H,3-4,9-10,16H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide?
3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115161397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).