3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride

C21H30Cl2N4O2 — CID 119847686

IUPAC3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1cccc(NC(=O)c2ccc(CN)cc2)c1.Cl.Cl
InChIInChI=1S/C21H28N4O2.2ClH/c1-3-25(4-2)13-12-23-20(26)18-6-5-7-19(14-18)24-21(27)17-10-8-16(15-22)9-11-17;;/h5-11,14H,3-4,12-13,15,22H2,1-2H3,(H,23,26)(H,24,27);2*1H
InChIKeyLTLZUFVMIAUXCB-UHFFFAOYSA-N
MW441.40 g/mol
LogP3.31
Rot. Bonds9

About 3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride

3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride (PubChem CID 119847686) has the molecular formula C21H30Cl2N4O2 and a molecular weight of 441.40 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
PubChem CID119847686
Molecular FormulaC21H30Cl2N4O2
Molecular Weight441.40 g/mol
Exact Mass440.17
IUPAC Name3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1cccc(NC(=O)c2ccc(CN)cc2)c1.Cl.Cl
InChIInChI=1S/C21H28N4O2.2ClH/c1-3-25(4-2)13-12-23-20(26)18-6-5-7-19(14-18)24-21(27)17-10-8-16(15-22)9-11-17;;/h5-11,14H,3-4,12-13,15,22H2,1-2H3,(H,23,26)(H,24,27);2*1H
InChIKeyLTLZUFVMIAUXCB-UHFFFAOYSA-N
XLogP3.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 53.31
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
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-heptylbenzamide
CID 143018159
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053236
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 13140655
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The IUPAC name of 3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride (CID 119847686) is 3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride is CCN(CC)CCNC(=O)c1cccc(NC(=O)c2ccc(CN)cc2)c1.Cl.Cl.
What is the InChIKey of 3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The InChIKey is LTLZUFVMIAUXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.2ClH/c1-3-25(4-2)13-12-23-20(26)18-6-5-7-19(14-18)24-21(27)17-10-8-16(15-22)9-11-17;;/h5-11,14H,3-4,12-13,15,22H2,1-2H3,(H,23,26)(H,24,27);2*1H.
What are the key properties of 3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride has a molecular weight of 441.40 g/mol, XLogP of 3.31, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119847686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).