1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride

C18H30ClN3O2 — CID 119522644

IUPAC1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-5-10-21(11-6-2)17(23)15-9-7-8-14(12-15)16(22)20-18(3,4)13-19;/h7-9,12H,5-6,10-11,13,19H2,1-4H3,(H,20,22);1H
InChIKeyQJXSXOMLRKEMSG-UHFFFAOYSA-N
MW355.91 g/mol
LogP2.84
Rot. Bonds8

About 1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride

1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride (PubChem CID 119522644) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
PubChem CID119522644
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-5-10-21(11-6-2)17(23)15-9-7-8-14(12-15)16(22)20-18(3,4)13-19;/h7-9,12H,5-6,10-11,13,19H2,1-4H3,(H,20,22);1H
InChIKeyQJXSXOMLRKEMSG-UHFFFAOYSA-N
XLogP2.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119523948
N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
CID 119523789
1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119422209
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099
(2R)-2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119369801
1-N-(3,5-dimethylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056605
2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119348612
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119614508
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617
N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119524758
propyl 3-(dipropylcarbamoyl)benzoate
CID 90989239

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride (CID 119522644) is 1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride is CCCN(CCC)C(=O)c1cccc(C(=O)NC(C)(C)CN)c1.Cl.
What is the InChIKey of 1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is QJXSXOMLRKEMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-5-10-21(11-6-2)17(23)15-9-7-8-14(12-15)16(22)20-18(3,4)13-19;/h7-9,12H,5-6,10-11,13,19H2,1-4H3,(H,20,22);1H.
What are the key properties of 1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119522644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).