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

C14H21N3O — CID 81171925

IUPAC1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)C2(N)CCC2)cc1
InChIInChI=1S/C14H21N3O/c1-17(2)12-6-4-11(5-7-12)10-16-13(18)14(15)8-3-9-14/h4-7H,3,8-10,15H2,1-2H3,(H,16,18)
InChIKeyJVJAAHSWGSFLJQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.25
Rot. Bonds4

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

1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide (PubChem CID 81171925) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide
PubChem CID81171925
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)C2(N)CCC2)cc1
InChIInChI=1S/C14H21N3O/c1-17(2)12-6-4-11(5-7-12)10-16-13(18)14(15)8-3-9-14/h4-7H,3,8-10,15H2,1-2H3,(H,16,18)
InChIKeyJVJAAHSWGSFLJQ-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845701
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide
CID 3853433
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119881589
1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide
CID 154491906
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429
trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 25344132
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119283610
N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
CID 61248604

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide (CID 81171925) is 1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide is CN(C)c1ccc(CNC(=O)C2(N)CCC2)cc1.
What is the InChIKey of 1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is JVJAAHSWGSFLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(2)12-6-4-11(5-7-12)10-16-13(18)14(15)8-3-9-14/h4-7H,3,8-10,15H2,1-2H3,(H,16,18).
What are the key properties of 1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide?
1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.25, 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-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81171925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).