N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride

C17H27BrClN3O2 — CID 119599730

IUPACN-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCNC(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H26BrN3O2.ClH/c1-12(2)10-17(3,11-19)21-15(22)8-9-20-16(23)13-4-6-14(18)7-5-13;/h4-7,12H,8-11,19H2,1-3H3,(H,20,23)(H,21,22);1H
InChIKeyGJKHSEYSMQFGDY-UHFFFAOYSA-N
MW420.78 g/mol
LogP2.87
Rot. Bonds8

About N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride

N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride (PubChem CID 119599730) has the molecular formula C17H27BrClN3O2 and a molecular weight of 420.78 g/mol. Its IUPAC name is N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride
PubChem CID119599730
Molecular FormulaC17H27BrClN3O2
Molecular Weight420.78 g/mol
Exact Mass419.10
IUPAC NameN-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCNC(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H26BrN3O2.ClH/c1-12(2)10-17(3,11-19)21-15(22)8-9-20-16(23)13-4-6-14(18)7-5-13;/h4-7,12H,8-11,19H2,1-3H3,(H,20,23)(H,21,22);1H
InChIKeyGJKHSEYSMQFGDY-UHFFFAOYSA-N
XLogP2.87
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.78
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119599640
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
CID 119598613
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119597620
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119408124
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
CID 119600366
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119598846
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4-dibromobenzamide
CID 107940162
4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
CID 119503431

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The IUPAC name of N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride (CID 119599730) is N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride.
What is the SMILES notation for N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The canonical SMILES for N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)CCNC(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The InChIKey is GJKHSEYSMQFGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O2.ClH/c1-12(2)10-17(3,11-19)21-15(22)8-9-20-16(23)13-4-6-14(18)7-5-13;/h4-7,12H,8-11,19H2,1-3H3,(H,20,23)(H,21,22);1H.
What are the key properties of N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride?
N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride has a molecular weight of 420.78 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride is sourced from PubChem (CID 119599730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).