4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride

C17H30Cl2N4O2 — CID 119827825

IUPAC4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C(C)(C)N)cc1.Cl.Cl
InChIInChI=1S/C17H28N4O2.2ClH/c1-5-21(6-2)12-11-19-15(22)13-7-9-14(10-8-13)20-16(23)17(3,4)18;;/h7-10H,5-6,11-12,18H2,1-4H3,(H,19,22)(H,20,23);2*1H
InChIKeyPKSZFUURLNGCTP-UHFFFAOYSA-N
MW393.36 g/mol
LogP2.28
Rot. Bonds8

About 4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride

4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride (PubChem CID 119827825) has the molecular formula C17H30Cl2N4O2 and a molecular weight of 393.36 g/mol. Its IUPAC name is 4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
PubChem CID119827825
Molecular FormulaC17H30Cl2N4O2
Molecular Weight393.36 g/mol
Exact Mass392.17
IUPAC Name4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C(C)(C)N)cc1.Cl.Cl
InChIInChI=1S/C17H28N4O2.2ClH/c1-5-21(6-2)12-11-19-15(22)13-7-9-14(10-8-13)20-16(23)17(3,4)18;;/h7-10H,5-6,11-12,18H2,1-4H3,(H,19,22)(H,20,23);2*1H
InChIKeyPKSZFUURLNGCTP-UHFFFAOYSA-N
XLogP2.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119847657
4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827819
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827857
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 120669281
4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
CID 119739022
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The IUPAC name of 4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride (CID 119827825) is 4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride is CCN(CC)CCNC(=O)c1ccc(NC(=O)C(C)(C)N)cc1.Cl.Cl.
What is the InChIKey of 4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The InChIKey is PKSZFUURLNGCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.2ClH/c1-5-21(6-2)12-11-19-15(22)13-7-9-14(10-8-13)20-16(23)17(3,4)18;;/h7-10H,5-6,11-12,18H2,1-4H3,(H,19,22)(H,20,23);2*1H.
What are the key properties of 4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride has a molecular weight of 393.36 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119827825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).