1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride

C16H26ClN3O2 — CID 119629402

IUPAC1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-5-19(6-2)15(21)13-9-7-12(8-10-13)14(20)18-11-16(3,4)17;/h7-10H,5-6,11,17H2,1-4H3,(H,18,20);1H
InChIKeyOCAXDBJOGGVBBB-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.06
Rot. Bonds6

About 1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride

1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride (PubChem CID 119629402) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
PubChem CID119629402
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-5-19(6-2)15(21)13-9-7-12(8-10-13)14(20)18-11-16(3,4)17;/h7-10H,5-6,11,17H2,1-4H3,(H,18,20);1H
InChIKeyOCAXDBJOGGVBBB-UHFFFAOYSA-N
XLogP2.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119629953
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119630817
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119629951
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide
CID 57183116
1-N-(1-amino-2-cyclopropylpropan-2-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119575007
N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 79792462
4-[[4-(diethylcarbamoyl)benzoyl]amino]butanoic acid
CID 119352901

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride (CID 119629402) is 1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride is CCN(CC)C(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl.
What is the InChIKey of 1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is OCAXDBJOGGVBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-5-19(6-2)15(21)13-9-7-12(8-10-13)14(20)18-11-16(3,4)17;/h7-10H,5-6,11,17H2,1-4H3,(H,18,20);1H.
What are the key properties of 1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride?
1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119629402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).