N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide

C14H21N3O — CID 66006240

IUPACN-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CC(N)C2)c1
InChIInChI=1S/C14H21N3O/c1-17(2)13-5-3-4-11(8-13)14(18)16-9-10-6-12(15)7-10/h3-5,8,10,12H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyHOMKMVYJVMAARY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.22
Rot. Bonds4

About N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide

N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide (PubChem CID 66006240) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
PubChem CID66006240
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CC(N)C2)c1
InChIInChI=1S/C14H21N3O/c1-17(2)13-5-3-4-11(8-13)14(18)16-9-10-6-12(15)7-10/h3-5,8,10,12H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyHOMKMVYJVMAARY-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide
CID 144994040
N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide
CID 66006871
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-(dimethylamino)benzamide
CID 114317430
N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide
CID 66004939
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
CID 100681580
methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[[3-(dimethylamino)benzoyl]amino]methyl]pyrrolidin-2-yl]acetate
CID 165417394
3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide
CID 91814088
3-(dimethylamino)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110741562
3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955769
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide (CID 66006240) is N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NCC2CC(N)C2)c1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide?
The InChIKey is HOMKMVYJVMAARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(2)13-5-3-4-11(8-13)14(18)16-9-10-6-12(15)7-10/h3-5,8,10,12H,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide?
N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 66006240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).