3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide

C14H23N3O — CID 103814251

IUPAC3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide
SMILESCCC(C)N(C)CCNC(=O)c1cccc(N)c1
InChIInChI=1S/C14H23N3O/c1-4-11(2)17(3)9-8-16-14(18)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9,15H2,1-3H3,(H,16,18)
InChIKeyBWGXMHMNDBIOSX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.73
Rot. Bonds6

About 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide

3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide (PubChem CID 103814251) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide
PubChem CID103814251
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide
SMILESCCC(C)N(C)CCNC(=O)c1cccc(N)c1
InChIInChI=1S/C14H23N3O/c1-4-11(2)17(3)9-8-16-14(18)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9,15H2,1-3H3,(H,16,18)
InChIKeyBWGXMHMNDBIOSX-UHFFFAOYSA-N
XLogP1.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide
CID 95167816
6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 114134948
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119871098
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 114133340
2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119946988
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 119728935
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
CID 95167795
3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 119748277

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide (CID 103814251) is 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide is CCC(C)N(C)CCNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide?
The InChIKey is BWGXMHMNDBIOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-11(2)17(3)9-8-16-14(18)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide?
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide has a molecular weight of 249.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 103814251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).