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

C14H25Cl2N3O — CID 119946988

IUPAC2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
SMILESCCC(C)N(C)CCNC(=O)c1ccccc1N.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-4-11(2)17(3)10-9-16-14(18)12-7-5-6-8-13(12)15;;/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18);2*1H
InChIKeyRCSVMSJQJSGSBP-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.57
Rot. Bonds6

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

2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride (PubChem CID 119946988) has the molecular formula C14H25Cl2N3O and a molecular weight of 322.28 g/mol. Its IUPAC name is 2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
PubChem CID119946988
Molecular FormulaC14H25Cl2N3O
Molecular Weight322.28 g/mol
Exact Mass321.14
IUPAC Name2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
SMILESCCC(C)N(C)CCNC(=O)c1ccccc1N.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-4-11(2)17(3)10-9-16-14(18)12-7-5-6-8-13(12)15;;/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18);2*1H
InChIKeyRCSVMSJQJSGSBP-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.57
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-[butan-2-yl(methyl)amino]ethyl]benzamide
CID 103814251
2-bromo-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-fluorobenzamide
CID 95167793
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide
CID 95167816
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 114134948
2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
CID 119946480
3-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 114078807
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 113251010
2-amino-N-dodecylbenzamide
CID 54099396
2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
CID 119944917
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride (CID 119946988) is 2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride is CCC(C)N(C)CCNC(=O)c1ccccc1N.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride?
The InChIKey is RCSVMSJQJSGSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.2ClH/c1-4-11(2)17(3)10-9-16-14(18)12-7-5-6-8-13(12)15;;/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18);2*1H.
What are the key properties of 2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride?
2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride has a molecular weight of 322.28 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).