N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride

C17H28ClN3O2 — CID 119630091

IUPACN-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
SMILESCc1cc(C(=O)NCC(C)(C)N)ccc1NC(=O)CC(C)C.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-11(2)8-15(21)20-14-7-6-13(9-12(14)3)16(22)19-10-17(4,5)18;/h6-7,9,11H,8,10,18H2,1-5H3,(H,19,22)(H,20,21);1H
InChIKeyOXEBYTBDLVILIV-UHFFFAOYSA-N
MW341.88 g/mol
LogP2.87
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride

N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride (PubChem CID 119630091) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
PubChem CID119630091
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC NameN-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
SMILESCc1cc(C(=O)NCC(C)(C)N)ccc1NC(=O)CC(C)C.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-11(2)8-15(21)20-14-7-6-13(9-12(14)3)16(22)19-10-17(4,5)18;/h6-7,9,11H,8,10,18H2,1-5H3,(H,19,22)(H,20,21);1H
InChIKeyOXEBYTBDLVILIV-UHFFFAOYSA-N
XLogP2.87
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119408504
3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide
CID 119503824
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
4-[2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]ethyl]benzoic acid
CID 119168800
(2R)-2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 119244295
6-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]hexanoic acid
CID 119220067
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 119656491
2-[2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242191
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119621174
N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 111471383
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 119621175

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride (CID 119630091) is N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride is Cc1cc(C(=O)NCC(C)(C)N)ccc1NC(=O)CC(C)C.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride?
The InChIKey is OXEBYTBDLVILIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-11(2)8-15(21)20-14-7-6-13(9-12(14)3)16(22)19-10-17(4,5)18;/h6-7,9,11H,8,10,18H2,1-5H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119630091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).