3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide

C16H26N4O — CID 105414144

IUPAC3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N(C)CC2(N(C)C)CCC2)c(N)c1
InChIInChI=1S/C16H26N4O/c1-18-15(21)12-6-7-14(13(17)10-12)20(4)11-16(19(2)3)8-5-9-16/h6-7,10H,5,8-9,11,17H2,1-4H3,(H,18,21)
InChIKeyASYUVCBCVHRYEP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.55
Rot. Bonds5

About 3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide

3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide (PubChem CID 105414144) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide
PubChem CID105414144
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N(C)CC2(N(C)C)CCC2)c(N)c1
InChIInChI=1S/C16H26N4O/c1-18-15(21)12-6-7-14(13(17)10-12)20(4)11-16(19(2)3)8-5-9-16/h6-7,10H,5,8-9,11,17H2,1-4H3,(H,18,21)
InChIKeyASYUVCBCVHRYEP-UHFFFAOYSA-N
XLogP1.55
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 105414177
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-iodo-1-N-methylbenzene-1,2-diamine
CID 105414091
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
CID 82991957
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid
CID 105415380
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide
CID 102631347
3-amino-4-[(4-bromothiophen-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82988917
3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82992382
3-amino-4-[2-(cyclopropylmethoxy)ethyl-methylamino]-N-methylbenzamide
CID 82999655
3-amino-N-methyl-4-[methyl(pyridin-2-ylmethyl)amino]benzamide
CID 82988706
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide (CID 105414144) is 3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide is CNC(=O)c1ccc(N(C)CC2(N(C)C)CCC2)c(N)c1.
What is the InChIKey of 3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide?
The InChIKey is ASYUVCBCVHRYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-15(21)12-6-7-14(13(17)10-12)20(4)11-16(19(2)3)8-5-9-16/h6-7,10H,5,8-9,11,17H2,1-4H3,(H,18,21).
What are the key properties of 3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide?
3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide is sourced from PubChem (CID 105414144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).