N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride

C24H35Cl2N3O2 — CID 120648106

IUPACN-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
SMILESCC1CN(Cc2ccc(C(=O)N(CCCN)Cc3ccccc3)cc2)CC(C)O1.Cl.Cl
InChIInChI=1S/C24H33N3O2.2ClH/c1-19-15-26(16-20(2)29-19)17-22-9-11-23(12-10-22)24(28)27(14-6-13-25)18-21-7-4-3-5-8-21;;/h3-5,7-12,19-20H,6,13-18,25H2,1-2H3;2*1H
InChIKeyPFSMEQODQBZANQ-UHFFFAOYSA-N
MW468.47 g/mol
LogP4.13
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride

N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride (PubChem CID 120648106) has the molecular formula C24H35Cl2N3O2 and a molecular weight of 468.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
PubChem CID120648106
Molecular FormulaC24H35Cl2N3O2
Molecular Weight468.47 g/mol
Exact Mass467.21
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
SMILESCC1CN(Cc2ccc(C(=O)N(CCCN)Cc3ccccc3)cc2)CC(C)O1.Cl.Cl
InChIInChI=1S/C24H33N3O2.2ClH/c1-19-15-26(16-20(2)29-19)17-22-9-11-23(12-10-22)24(28)27(14-6-13-25)18-21-7-4-3-5-8-21;;/h3-5,7-12,19-20H,6,13-18,25H2,1-2H3;2*1H
InChIKeyPFSMEQODQBZANQ-UHFFFAOYSA-N
XLogP4.13
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide
CID 55623499
3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid
CID 119362913
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide
CID 171572082
N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119528441
(2S)-2-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]-methylamino]propanoic acid
CID 125151546
N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 120649857
N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride
CID 120648211
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methanone;dihydrochloride
CID 120746078

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride (CID 120648106) is N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride is CC1CN(Cc2ccc(C(=O)N(CCCN)Cc3ccccc3)cc2)CC(C)O1.Cl.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
The InChIKey is PFSMEQODQBZANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2.2ClH/c1-19-15-26(16-20(2)29-19)17-22-9-11-23(12-10-22)24(28)27(14-6-13-25)18-21-7-4-3-5-8-21;;/h3-5,7-12,19-20H,6,13-18,25H2,1-2H3;2*1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride has a molecular weight of 468.47 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 120648106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).