N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride

C17H31Cl2N3O — CID 119497813

IUPACN-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NCCC(C)N.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-11(2)14(5)20-16-8-6-7-15(13(16)4)17(21)19-10-9-12(3)18;;/h6-8,11-12,14,20H,9-10,18H2,1-5H3,(H,19,21);2*1H
InChIKeyPZGQPRHXFWHUDB-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.76
Rot. Bonds7

About N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride

N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride (PubChem CID 119497813) has the molecular formula C17H31Cl2N3O and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
PubChem CID119497813
Molecular FormulaC17H31Cl2N3O
Molecular Weight364.36 g/mol
Exact Mass363.18
IUPAC NameN-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NCCC(C)N.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-11(2)14(5)20-16-8-6-7-15(13(16)4)17(21)19-10-9-12(3)18;;/h6-8,11-12,14,20H,9-10,18H2,1-5H3,(H,19,21);2*1H
InChIKeyPZGQPRHXFWHUDB-UHFFFAOYSA-N
XLogP3.76
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119407414
2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119432416
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 120945658
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119557753
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536338
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
(2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate
CID 95636343
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
CID 119615851
N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide
CID 119498074
2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide
CID 96523879
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride (CID 119497813) is N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride is Cc1c(NC(C)C(C)C)cccc1C(=O)NCCC(C)N.Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
The InChIKey is PZGQPRHXFWHUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.2ClH/c1-11(2)14(5)20-16-8-6-7-15(13(16)4)17(21)19-10-9-12(3)18;;/h6-8,11-12,14,20H,9-10,18H2,1-5H3,(H,19,21);2*1H.
What are the key properties of N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride has a molecular weight of 364.36 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride is sourced from PubChem (CID 119497813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).