N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride

C17H31Cl2N3O2 — CID 119629951

IUPACN-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(C(=O)NCC(C)(C)N)cc1.Cl.Cl
InChIInChI=1S/C17H29N3O2.2ClH/c1-5-20(6-2)11-12-22-15-9-7-14(8-10-15)16(21)19-13-17(3,4)18;;/h7-10H,5-6,11-13,18H2,1-4H3,(H,19,21);2*1H
InChIKeyWKMINUDDNLEXOR-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.72
Rot. Bonds9

About N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride

N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride (PubChem CID 119629951) has the molecular formula C17H31Cl2N3O2 and a molecular weight of 380.36 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
PubChem CID119629951
Molecular FormulaC17H31Cl2N3O2
Molecular Weight380.36 g/mol
Exact Mass379.18
IUPAC NameN-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(C(=O)NCC(C)(C)N)cc1.Cl.Cl
InChIInChI=1S/C17H29N3O2.2ClH/c1-5-20(6-2)11-12-22-15-9-7-14(8-10-15)16(21)19-13-17(3,4)18;;/h7-10H,5-6,11-13,18H2,1-4H3,(H,19,21);2*1H
InChIKeyWKMINUDDNLEXOR-UHFFFAOYSA-N
XLogP2.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119608481
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119567915
1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119629402
N-(6-amino-3-pyridinyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119516313
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769
N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide
CID 119567916
3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine
CID 138678165
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
4-[2-(diethylamino)ethoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119448581

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride (CID 119629951) is N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride is CCN(CC)CCOc1ccc(C(=O)NCC(C)(C)N)cc1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
The InChIKey is WKMINUDDNLEXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.2ClH/c1-5-20(6-2)11-12-22-15-9-7-14(8-10-15)16(21)19-13-17(3,4)18;;/h7-10H,5-6,11-13,18H2,1-4H3,(H,19,21);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride has a molecular weight of 380.36 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride is sourced from PubChem (CID 119629951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).