N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide

C20H24N2O — CID 24668035

IUPACN-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESCN(CCNC(=O)C1(c2ccccc2)CCC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-22(18-11-6-3-7-12-18)16-15-21-19(23)20(13-8-14-20)17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,21,23)
InChIKeyPLBQAUDSXYQZLJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide

N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 24668035) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID24668035
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESCN(CCNC(=O)C1(c2ccccc2)CCC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-22(18-11-6-3-7-12-18)16-15-21-19(23)20(13-8-14-20)17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,21,23)
InChIKeyPLBQAUDSXYQZLJ-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 46969615
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 64552119
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 110936506
1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide (CID 24668035) is N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide is CN(CCNC(=O)C1(c2ccccc2)CCC1)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is PLBQAUDSXYQZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-22(18-11-6-3-7-12-18)16-15-21-19(23)20(13-8-14-20)17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,21,23).
What are the key properties of N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide?
N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 24668035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).