4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride

C18H30ClN3O2 — CID 120651678

IUPAC4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-6-19-13(2)11-20-16(22)14-7-9-15(10-8-14)17(23)21-12-18(3,4)5;/h7-10,13,19H,6,11-12H2,1-5H3,(H,20,22)(H,21,23);1H/t13-;/m1./s1
InChIKeyQAJPRCUUQWKDEX-BTQNPOSSSA-N
MW355.91 g/mol
LogP2.61
Rot. Bonds7

About 4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride

4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride (PubChem CID 120651678) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
PubChem CID120651678
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-6-19-13(2)11-20-16(22)14-7-9-15(10-8-14)17(23)21-12-18(3,4)5;/h7-10,13,19H,6,11-12H2,1-5H3,(H,20,22)(H,21,23);1H/t13-;/m1./s1
InChIKeyQAJPRCUUQWKDEX-BTQNPOSSSA-N
XLogP2.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120654100
4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654055
N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120653498
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654646
4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654846
4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120652660
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride
CID 119584228
4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120651710
N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120654191

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride (CID 120651678) is 4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl.
What is the InChIKey of 4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is QAJPRCUUQWKDEX-BTQNPOSSSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-6-19-13(2)11-20-16(22)14-7-9-15(10-8-14)17(23)21-12-18(3,4)5;/h7-10,13,19H,6,11-12H2,1-5H3,(H,20,22)(H,21,23);1H/t13-;/m1./s1.
What are the key properties of 4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride?
4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 120651678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).