1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide

C15H21N3O2 — CID 81178638

IUPAC1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)C2(N)CCC2)cc1
InChIInChI=1S/C15H21N3O2/c1-18(2)13(19)10-11-4-6-12(7-5-11)17-14(20)15(16)8-3-9-15/h4-7H,3,8-10,16H2,1-2H3,(H,17,20)
InChIKeyQFMYWEJIWBESAZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.14
Rot. Bonds4

About 1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide

1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide (PubChem CID 81178638) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
PubChem CID81178638
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)C2(N)CCC2)cc1
InChIInChI=1S/C15H21N3O2/c1-18(2)13(19)10-11-4-6-12(7-5-11)17-14(20)15(16)8-3-9-15/h4-7H,3,8-10,16H2,1-2H3,(H,17,20)
InChIKeyQFMYWEJIWBESAZ-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60867224
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
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1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119719005
1-amino-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60866670
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide
CID 81178892
2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate
CID 79346617

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide (CID 81178638) is 1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide is CN(C)C(=O)Cc1ccc(NC(=O)C2(N)CCC2)cc1.
What is the InChIKey of 1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide?
The InChIKey is QFMYWEJIWBESAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(2)13(19)10-11-4-6-12(7-5-11)17-14(20)15(16)8-3-9-15/h4-7H,3,8-10,16H2,1-2H3,(H,17,20).
What are the key properties of 1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide?
1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81178638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).